N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine

C16H28N2 — CID 143262230

IUPACN-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine
SMILESC/C=C(C)\C(C)=N/C(=C/CC)NC1CCCCC1
InChIInChI=1S/C16H28N2/c1-5-10-16(17-14(4)13(3)6-2)18-15-11-8-7-9-12-15/h6,10,15,18H,5,7-9,11-12H2,1-4H3/b13-6-,16-10-,17-14-
InChIKeyJIFWFTCEOZWGNJ-YGULMXCHSA-N
MW248.41 g/mol
LogP4.59
Rot. Bonds5

About N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine

N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine (PubChem CID 143262230) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine
PubChem CID143262230
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine
SMILESC/C=C(C)\C(C)=N/C(=C/CC)NC1CCCCC1
InChIInChI=1S/C16H28N2/c1-5-10-16(17-14(4)13(3)6-2)18-15-11-8-7-9-12-15/h6,10,15,18H,5,7-9,11-12H2,1-4H3/b13-6-,16-10-,17-14-
InChIKeyJIFWFTCEOZWGNJ-YGULMXCHSA-N
XLogP4.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine with MolForge

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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
N-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine
CID 89742668
N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane
CID 144961951
N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine
CID 145242433
N-[1-[[(2E,3E,4Z)-2,3-di(ethylidene)-6-methylhepta-4,6-dienylidene]amino]ethenyl]cyclohexanamine
CID 173986093
N-[(E)-1-[[(5Z)-2-amino-5-ethylidene-3-methylidene-6-(methyliminomethyl)octa-1,6-dien-4-ylidene]amino]-2-methylbut-1-enyl]cyclohexanamine
CID 174064500
(Z)-N-[(Z)-1-[(Z)-but-3-en-2-ylideneamino]but-1-enyl]-5-(ethenyliminomethyl)oct-5-en-4-amine
CID 143056562
N-[[(Z)-[(Z)-2-(methylaminomethyl)pent-2-enylidene]amino]methyl]cyclohexanamine
CID 143716992

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine?
The IUPAC name of N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine (CID 143262230) is N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine.
What is the SMILES notation for N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine?
The canonical SMILES for N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine is C/C=C(C)\C(C)=N/C(=C/CC)NC1CCCCC1.
What is the InChIKey of N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine?
The InChIKey is JIFWFTCEOZWGNJ-YGULMXCHSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-10-16(17-14(4)13(3)6-2)18-15-11-8-7-9-12-15/h6,10,15,18H,5,7-9,11-12H2,1-4H3/b13-6-,16-10-,17-14-.
What are the key properties of N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine?
N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine has a molecular weight of 248.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine is sourced from PubChem (CID 143262230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).