ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine

C19H36N2 — CID 144654848

IUPACethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)C(C)N(C)C1CCC(C)CC1.CC
InChIInChI=1S/C17H30N2.C2H6/c1-6-8-16(13-18-7-2)15(4)19(5)17-11-9-14(3)10-12-17;1-2/h6-8,13-15,17H,9-12H2,1-5H3;1-2H3/b8-6-,16-13+,18-7+;
InChIKeyXNYUPSURQIPTRO-IAGRDEQHSA-N
MW292.51 g/mol
LogP5.46
Rot. Bonds5

About ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine

ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 144654848) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
PubChem CID144654848
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Nameethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)C(C)N(C)C1CCC(C)CC1.CC
InChIInChI=1S/C17H30N2.C2H6/c1-6-8-16(13-18-7-2)15(4)19(5)17-11-9-14(3)10-12-17;1-2/h6-8,13-15,17H,9-12H2,1-5H3;1-2H3/b8-6-,16-13+,18-7+;
InChIKeyXNYUPSURQIPTRO-IAGRDEQHSA-N
XLogP5.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(Z)-2-[1-[(Z)-1-cyclohexylprop-1-enyl]-3-methyl-6-methylidenepyrazin-2-yl]ethenyl]methanimine
CID 121400281
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-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine
CID 134287846
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
N-[(1Z)-1-[1-(4-cyclohexylbutyl)-2-methylidene-4H-pyridin-3-ylidene]propyl]ethanimine;methane
CID 143699563
ethane;N-methyl-N-[(Z,3E)-3-[(methylideneamino)methylidene]hex-4-en-2-yl]cyclohexanamine
CID 144654673
ethane;4-ethyl-N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N-methylcyclohexan-1-amine
CID 144654677

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine (CID 144654848) is ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine is C/C=C\C(=C/N=C/C)C(C)N(C)C1CCC(C)CC1.CC.
What is the InChIKey of ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is XNYUPSURQIPTRO-IAGRDEQHSA-N. The full InChI is InChI=1S/C17H30N2.C2H6/c1-6-8-16(13-18-7-2)15(4)19(5)17-11-9-14(3)10-12-17;1-2/h6-8,13-15,17H,9-12H2,1-5H3;1-2H3/b8-6-,16-13+,18-7+;.
What are the key properties of ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine?
ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z,3E)-3-[(ethylideneamino)methylidene]hex-4-en-2-yl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 144654848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).