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

C20H40N2 — CID 144734953

IUPACethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)CN(C)C1CCC(C)CC1.CC.CC
InChIInChI=1S/C16H28N2.2C2H6/c1-5-7-15(12-17-6-2)13-18(4)16-10-8-14(3)9-11-16;2*1-2/h5-7,12,14,16H,8-11,13H2,1-4H3;2*1-2H3/b7-5-,15-12+,17-6+;;
InChIKeyXGSHQMAYTBWPTJ-HSDUCPPXSA-N
MW308.55 g/mol
LogP6.10
Rot. Bonds5

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

ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 144734953) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID144734953
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Nameethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine
SMILESC/C=C\C(=C/N=C/C)CN(C)C1CCC(C)CC1.CC.CC
InChIInChI=1S/C16H28N2.2C2H6/c1-5-7-15(12-17-6-2)13-18(4)16-10-8-14(3)9-11-16;2*1-2/h5-7,12,14,16H,8-11,13H2,1-4H3;2*1-2H3/b7-5-,15-12+,17-6+;;
InChIKeyXGSHQMAYTBWPTJ-HSDUCPPXSA-N
XLogP6.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.10
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine (CID 144734953) is ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine is C/C=C\C(=C/N=C/C)CN(C)C1CCC(C)CC1.CC.CC.
What is the InChIKey of ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is XGSHQMAYTBWPTJ-HSDUCPPXSA-N. The full InChI is InChI=1S/C16H28N2.2C2H6/c1-5-7-15(12-17-6-2)13-18(4)16-10-8-14(3)9-11-16;2*1-2/h5-7,12,14,16H,8-11,13H2,1-4H3;2*1-2H3/b7-5-,15-12+,17-6+;;.
What are the key properties of ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine?
ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 308.55 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 144734953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).