N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine

C20H35N — CID 134250067

IUPACN-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine
SMILESC=C(C/C=C/C(C)CC(C)C)NC1CC=C(C)CC1CC
InChIInChI=1S/C20H35N/c1-7-19-14-17(5)11-12-20(19)21-18(6)10-8-9-16(4)13-15(2)3/h8-9,11,15-16,19-21H,6-7,10,12-14H2,1-5H3/b9-8+
InChIKeyVXEIXXKLNSMDHS-CMDGGOBGSA-N
MW289.51 g/mol
LogP5.85
Rot. Bonds8

About N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine

N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine (PubChem CID 134250067) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine
PubChem CID134250067
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine
SMILESC=C(C/C=C/C(C)CC(C)C)NC1CC=C(C)CC1CC
InChIInChI=1S/C20H35N/c1-7-19-14-17(5)11-12-20(19)21-18(6)10-8-9-16(4)13-15(2)3/h8-9,11,15-16,19-21H,6-7,10,12-14H2,1-5H3/b9-8+
InChIKeyVXEIXXKLNSMDHS-CMDGGOBGSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine?
The IUPAC name of N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine (CID 134250067) is N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine.
What is the SMILES notation for N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine?
The canonical SMILES for N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine is C=C(C/C=C/C(C)CC(C)C)NC1CC=C(C)CC1CC.
What is the InChIKey of N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine?
The InChIKey is VXEIXXKLNSMDHS-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H35N/c1-7-19-14-17(5)11-12-20(19)21-18(6)10-8-9-16(4)13-15(2)3/h8-9,11,15-16,19-21H,6-7,10,12-14H2,1-5H3/b9-8+.
What are the key properties of N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine?
N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-6,8-dimethylnona-1,4-dien-2-yl]-6-ethyl-4-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 134250067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).