ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine

C19H36N2 — CID 144654864

IUPACethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)CN(C)C1CCC(CC)CC1.CC
InChIInChI=1S/C17H30N2.C2H6/c1-5-8-16(13-18-7-3)14-19(4)17-11-9-15(6-2)10-12-17;1-2/h5,7-8,13,15,17H,6,9-12,14H2,1-4H3;1-2H3/b8-5-,16-13+,18-7+;
InChIKeyWFXICAOMHJKWBN-BDMSSLARSA-N
MW292.51 g/mol
LogP5.46
Rot. Bonds6

About ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine

ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine (PubChem CID 144654864) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
PubChem CID144654864
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Nameethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)CN(C)C1CCC(CC)CC1.CC
InChIInChI=1S/C17H30N2.C2H6/c1-5-8-16(13-18-7-3)14-19(4)17-11-9-15(6-2)10-12-17;1-2/h5,7-8,13,15,17H,6,9-12,14H2,1-4H3;1-2H3/b8-5-,16-13+,18-7+;
InChIKeyWFXICAOMHJKWBN-BDMSSLARSA-N
XLogP5.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine
CID 123309080
N-(3H-azepin-6-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 123879642
N,4-dimethyl-N-[(Z,2E)-2-[(methylideneamino)methylidene]pent-3-enyl]cyclohexan-1-amine
CID 130459530
N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 130459822
N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
CID 130459844
N-ethyl-6-[6-[(E)-1-(ethylideneamino)prop-1-en-2-yl]cyclohexa-2,4-dien-1-yl]-3-methyl-N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]heptan-1-amine
CID 135228935
ethane;methane;(7E)-7-[(3Z,5Z)-1-(4-methylpiperidin-1-yl)octa-3,5-dienyl]-3,6-dihydroazocine
CID 143637234
4-butyl-N-[(3Z)-hexa-3,5-dienyl]cyclohexan-1-amine;ethane;N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
CID 143683651
N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
CID 143699563
ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
CID 144654677
ethane;N-[(3E)-3-[(ethylideneamino)methylidene]pent-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654679
ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
CID 144654692

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine?
The IUPAC name of ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine (CID 144654864) is ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine is C/C=C\C(=C/N=C/C)CN(C)C1CCC(CC)CC1.CC.
What is the InChIKey of ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine?
The InChIKey is WFXICAOMHJKWBN-BDMSSLARSA-N. The full InChI is InChI=1S/C17H30N2.C2H6/c1-5-8-16(13-18-7-3)14-19(4)17-11-9-15(6-2)10-12-17;1-2/h5,7-8,13,15,17H,6,9-12,14H2,1-4H3;1-2H3/b8-5-,16-13+,18-7+;.
What are the key properties of ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine?
ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 144654864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).