N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane

C17H32N2 — CID 144961951

IUPACN-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane
SMILESC=C(C)/C(C)=C(\N=C(C)C)NC1CCCCC1.CC
InChIInChI=1S/C15H26N2.C2H6/c1-11(2)13(5)15(16-12(3)4)17-14-9-7-6-8-10-14;1-2/h14,17H,1,6-10H2,2-5H3;1-2H3/b15-13+;
InChIKeyFZIAWKMVMGUOHS-GVYCEHEKSA-N
MW264.46 g/mol
LogP5.22
Rot. Bonds4

About N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane

N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane (PubChem CID 144961951) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane.

Molecular Properties

Compound NameN-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane
PubChem CID144961951
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane
SMILESC=C(C)/C(C)=C(\N=C(C)C)NC1CCCCC1.CC
InChIInChI=1S/C15H26N2.C2H6/c1-11(2)13(5)15(16-12(3)4)17-14-9-7-6-8-10-14;1-2/h14,17H,1,6-10H2,2-5H3;1-2H3/b15-13+;
InChIKeyFZIAWKMVMGUOHS-GVYCEHEKSA-N
XLogP5.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
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 N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane?
The IUPAC name of N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane (CID 144961951) is N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane.
What is the SMILES notation for N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane?
The canonical SMILES for N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane is C=C(C)/C(C)=C(\N=C(C)C)NC1CCCCC1.CC.
What is the InChIKey of N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane?
The InChIKey is FZIAWKMVMGUOHS-GVYCEHEKSA-N. The full InChI is InChI=1S/C15H26N2.C2H6/c1-11(2)13(5)15(16-12(3)4)17-14-9-7-6-8-10-14;1-2/h14,17H,1,6-10H2,2-5H3;1-2H3/b15-13+;.
What are the key properties of N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane?
N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane has a molecular weight of 264.46 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2,3-dimethyl-1-(propan-2-ylideneamino)buta-1,3-dienyl]cyclohexanamine;ethane is sourced from PubChem (CID 144961951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).