N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine

C17H27N3 — CID 145242433

IUPACN-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine
SMILES[H]/N=C/C(=C(C)C)C(/C=C\C)=N/C(=C)NC1CCCCC1
InChIInChI=1S/C17H27N3/c1-5-9-17(16(12-18)13(2)3)20-14(4)19-15-10-7-6-8-11-15/h5,9,12,15,18-19H,4,6-8,10-11H2,1-3H3/b9-5-,18-12+,20-17+
InChIKeySXEKGWVNERNKQG-GRXOUEOGSA-N
MW273.42 g/mol
LogP4.38
Rot. Bonds6

About N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine

N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine (PubChem CID 145242433) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine
PubChem CID145242433
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine
SMILES[H]/N=C/C(=C(C)C)C(/C=C\C)=N/C(=C)NC1CCCCC1
InChIInChI=1S/C17H27N3/c1-5-9-17(16(12-18)13(2)3)20-14(4)19-15-10-7-6-8-11-15/h5,9,12,15,18-19H,4,6-8,10-11H2,1-3H3/b9-5-,18-12+,20-17+
InChIKeySXEKGWVNERNKQG-GRXOUEOGSA-N
XLogP4.38
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine
CID 145242372
N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine
CID 145242376
4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine
CID 166750793
(3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine
CID 176539404
6-Pentyl-1,2-dihydropyrimidine
CID 20509831
6-(3-Methylbut-3-enyl)-1,2-dihydropyrimidine
CID 117656514
(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
N'-[(6Z,8E)-8-(2,3-dihydropyridin-5-yl)deca-6,8-dien-2-yl]methanediamine
CID 145204354
N-[(Z,3Z)-2-(3,4-dihydropyridin-6-yl)-3-(ethylaminomethylimino)-1-(methylideneamino)prop-1-enyl]cyclohexanamine
CID 145287984
(E)-N-(3-cyclohexyliminoprop-1-enyl)-N',3-dimethylpent-3-enimidamide
CID 173859910
N-[1-[[(2E,5Z)-2-tert-butyl-3-methyl-4-methylidenehepta-2,5-dienylidene]amino]ethenyl]cyclohexanamine
CID 173922767
(6E,8Z,10Z)-10-(aminomethyl)-3-cyclohexylimino-1-N-ethenyl-4-ethyl-6-methyl-12-(methyliminomethyl)trideca-4,6,8,10,12-pentaene-1,5,13-triamine
CID 173966049

Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine?
The IUPAC name of N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine (CID 145242433) is N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine.
What is the SMILES notation for N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine?
The canonical SMILES for N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine is [H]/N=C/C(=C(C)C)C(/C=C\C)=N/C(=C)NC1CCCCC1.
What is the InChIKey of N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine?
The InChIKey is SXEKGWVNERNKQG-GRXOUEOGSA-N. The full InChI is InChI=1S/C17H27N3/c1-5-9-17(16(12-18)13(2)3)20-14(4)19-15-10-7-6-8-11-15/h5,9,12,15,18-19H,4,6-8,10-11H2,1-3H3/b9-5-,18-12+,20-17+.
What are the key properties of N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine?
N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine has a molecular weight of 273.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine is sourced from PubChem (CID 145242433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).