N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine

C19H29N — CID 43740417

IUPACN-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
SMILESCC(C)(C)CC(NCC1CC=CCC1)c1ccccc1
InChIInChI=1S/C19H29N/c1-19(2,3)14-18(17-12-8-5-9-13-17)20-15-16-10-6-4-7-11-16/h4-6,8-9,12-13,16,18,20H,7,10-11,14-15H2,1-3H3
InChIKeyKDOPOPUFNPPGFA-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.11
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine (PubChem CID 43740417) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
PubChem CID43740417
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
SMILESCC(C)(C)CC(NCC1CC=CCC1)c1ccccc1
InChIInChI=1S/C19H29N/c1-19(2,3)14-18(17-12-8-5-9-13-17)20-15-16-10-6-4-7-11-16/h4-6,8-9,12-13,16,18,20H,7,10-11,14-15H2,1-3H3
InChIKeyKDOPOPUFNPPGFA-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.11
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-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine (CID 43740417) is N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine is CC(C)(C)CC(NCC1CC=CCC1)c1ccccc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
The InChIKey is KDOPOPUFNPPGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-19(2,3)14-18(17-12-8-5-9-13-17)20-15-16-10-6-4-7-11-16/h4-6,8-9,12-13,16,18,20H,7,10-11,14-15H2,1-3H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 43740417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).