N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine

C19H35N — CID 70333403

IUPACN-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(NC1CCC(C(=C)C)C(C)C1)C(C)CCC(C)C
InChIInChI=1S/C19H35N/c1-13(2)8-9-15(5)17(7)20-18-10-11-19(14(3)4)16(6)12-18/h13,15-16,18-20H,3,7-12H2,1-2,4-6H3
InChIKeyJPNZDJNODZFVRK-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.54
Rot. Bonds7

About N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine

N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine (PubChem CID 70333403) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
PubChem CID70333403
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(NC1CCC(C(=C)C)C(C)C1)C(C)CCC(C)C
InChIInChI=1S/C19H35N/c1-13(2)8-9-15(5)17(7)20-18-10-11-19(14(3)4)16(6)12-18/h13,15-16,18-20H,3,7-12H2,1-2,4-6H3
InChIKeyJPNZDJNODZFVRK-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.54
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-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine?
The IUPAC name of N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine (CID 70333403) is N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine is C=C(NC1CCC(C(=C)C)C(C)C1)C(C)CCC(C)C.
What is the InChIKey of N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine?
The InChIKey is JPNZDJNODZFVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-13(2)8-9-15(5)17(7)20-18-10-11-19(14(3)4)16(6)12-18/h13,15-16,18-20H,3,7-12H2,1-2,4-6H3.
What are the key properties of N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine?
N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 70333403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).