(1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine

C23H35N5 — CID 142202383

IUPAC(1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine
SMILES[H]/N=C\C=C/C(/C=N/C1CCCCC1)=C\C[C@H](/C=C/C(/C=N/C)=C\C=C/N)NC
InChIInChI=1S/C23H35N5/c1-26-18-20(8-6-16-24)12-14-22(27-2)15-13-21(9-7-17-25)19-28-23-10-4-3-5-11-23/h6-9,12-14,16-19,22-23,25,27H,3-5,10-11,15,24H2,1-2H3/b9-7-,14-12+,16-6-,20-8+,21-13+,25-17-,26-18+,28-19+/t22-/m0/s1
InChIKeyYHAJNRXNRXXLDD-NTVOIWFESA-N
MW381.57 g/mol
LogP4.16
Rot. Bonds11

About (1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine

(1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine (PubChem CID 142202383) has the molecular formula C23H35N5 and a molecular weight of 381.57 g/mol. Its IUPAC name is (1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine.

Molecular Properties

Compound Name(1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine
PubChem CID142202383
Molecular FormulaC23H35N5
Molecular Weight381.57 g/mol
Exact Mass381.29
IUPAC Name(1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine
SMILES[H]/N=C\C=C/C(/C=N/C1CCCCC1)=C\C[C@H](/C=C/C(/C=N/C)=C\C=C/N)NC
InChIInChI=1S/C23H35N5/c1-26-18-20(8-6-16-24)12-14-22(27-2)15-13-21(9-7-17-25)19-28-23-10-4-3-5-11-23/h6-9,12-14,16-19,22-23,25,27H,3-5,10-11,15,24H2,1-2H3/b9-7-,14-12+,16-6-,20-8+,21-13+,25-17-,26-18+,28-19+/t22-/m0/s1
InChIKeyYHAJNRXNRXXLDD-NTVOIWFESA-N
XLogP4.16
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine with MolForge

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Related Compounds

(3E)-5,5-difluoro-4-methylhepta-1,3-diene;(2E)-N-methyl-4,5-dimethylidene-1-methyliminoocta-2,7-dien-3-amine;N-propan-2-ylcyclohexanamine
CID 144055247
(3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine
CID 176539404
2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69190251
(1Z,3Z,6Z,8Z,10Z)-6-[[(4Z,6Z)-4-amino-2-(1,2-dihydropyridin-2-yl)nona-1,4,6,8-tetraen-3-ylidene]amino]-5-methylidenetrideca-1,3,6,8,10,12-hexaene-1,7,8-triamine
CID 88357182
(3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine
CID 134188582
3-[(1,4-dimethyl-3-propyl-2H-pyridin-6-yl)methyliminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine
CID 137247967
2,5-Bis(2-methyl-1,2-dihydropyridin-5-yl)-1,2-dihydropyrazine
CID 141810224
(E)-N-tert-butyl-2-(cyclohex-2-en-1-yliminomethyl)hex-1-en-1-amine
CID 142907377
N-[1-(1,2-dihydropyridin-2-yl)ethyl]cyclohexanamine;ethane;(Z)-N-ethenyl-3-methylpent-3-en-2-imine
CID 142954096
ethane;(E)-N-[3-[7-[1-[[(E)-3-(5-ethenyl-2-methylidene-3,4-dihydro-1H-pyridin-6-yl)-2-methylprop-2-enyl]amino]ethenyl]-6-methyl-2H-1,4-diazepin-5-yl]prop-1-en-2-yl]-2-methylbut-2-en-1-amine;(Z)-oct-6-en-1-amine
CID 143345098
N-[(2Z,4Z)-4-methyl-3-[N-methyl-C-[(E)-1-methyliminobut-2-en-2-yl]carbonimidoyl]hepta-2,4,6-trien-2-yl]cyclohexanamine;2-methylpropane
CID 144055508
N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine
CID 145242433

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine?
The IUPAC name of (1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine (CID 142202383) is (1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine.
What is the SMILES notation for (1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine?
The canonical SMILES for (1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine is [H]/N=C\C=C/C(/C=N/C1CCCCC1)=C\C[C@H](/C=C/C(/C=N/C)=C\C=C/N)NC.
What is the InChIKey of (1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine?
The InChIKey is YHAJNRXNRXXLDD-NTVOIWFESA-N. The full InChI is InChI=1S/C23H35N5/c1-26-18-20(8-6-16-24)12-14-22(27-2)15-13-21(9-7-17-25)19-28-23-10-4-3-5-11-23/h6-9,12-14,16-19,22-23,25,27H,3-5,10-11,15,24H2,1-2H3/b9-7-,14-12+,16-6-,20-8+,21-13+,25-17-,26-18+,28-19+/t22-/m0/s1.
What are the key properties of (1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine?
(1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine has a molecular weight of 381.57 g/mol, XLogP of 4.16, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E,7R,9E,11Z)-10-(cyclohexyliminomethyl)-13-imino-7-N-methyl-4-(methyliminomethyl)trideca-1,3,5,9,11-pentaene-1,7-diamine is sourced from PubChem (CID 142202383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).