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

C18H34N2 — CID 144654727

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
InChIInChI=1S/C16H28N2.C2H6/c1-5-7-15(12-17-6-2)13-18(4)16-10-8-14(3)9-11-16;1-2/h5-7,12,14,16H,8-11,13H2,1-4H3;1-2H3/b7-5-,15-12+,17-6+;
InChIKeyOSWCHNBVLOWTEN-YFTMVRKRSA-N
MW278.48 g/mol
LogP5.07
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 144654727) has the molecular formula C18H34N2 and a molecular weight of 278.48 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 CID144654727
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
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
InChIInChI=1S/C16H28N2.C2H6/c1-5-7-15(12-17-6-2)13-18(4)16-10-8-14(3)9-11-16;1-2/h5-7,12,14,16H,8-11,13H2,1-4H3;1-2H3/b7-5-,15-12+,17-6+;
InChIKeyOSWCHNBVLOWTEN-YFTMVRKRSA-N
XLogP5.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.07
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 144654727) 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.
What is the InChIKey of ethane;N-[(Z,2E)-2-[(ethylideneamino)methylidene]pent-3-enyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is OSWCHNBVLOWTEN-YFTMVRKRSA-N. The full InChI is InChI=1S/C16H28N2.C2H6/c1-5-7-15(12-17-6-2)13-18(4)16-10-8-14(3)9-11-16;1-2/h5-7,12,14,16H,8-11,13H2,1-4H3;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 278.48 g/mol, XLogP of 5.07, 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 144654727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).