N,2,6-trimethyl-2-phenylhept-6-en-3-amine

C16H25N — CID 114474619

IUPACN,2,6-trimethyl-2-phenylhept-6-en-3-amine
SMILESC=C(C)CCC(NC)C(C)(C)c1ccccc1
InChIInChI=1S/C16H25N/c1-13(2)11-12-15(17-5)16(3,4)14-9-7-6-8-10-14/h6-10,15,17H,1,11-12H2,2-5H3
InChIKeyLCPMHJHTUAGCPF-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.91
Rot. Bonds6

About N,2,6-trimethyl-2-phenylhept-6-en-3-amine

N,2,6-trimethyl-2-phenylhept-6-en-3-amine (PubChem CID 114474619) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N,2,6-trimethyl-2-phenylhept-6-en-3-amine.

Molecular Properties

Compound NameN,2,6-trimethyl-2-phenylhept-6-en-3-amine
PubChem CID114474619
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN,2,6-trimethyl-2-phenylhept-6-en-3-amine
SMILESC=C(C)CCC(NC)C(C)(C)c1ccccc1
InChIInChI=1S/C16H25N/c1-13(2)11-12-15(17-5)16(3,4)14-9-7-6-8-10-14/h6-10,15,17H,1,11-12H2,2-5H3
InChIKeyLCPMHJHTUAGCPF-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-N,3-dimethyl-3-phenylbutan-2-amine
CID 79574847
N,3-dimethyl-1-(2-methylphenyl)-3-phenylbutan-2-amine
CID 63084673
2,4-dimethyl-4-phenylpent-1-en-3-ol
CID 115817266
N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine
CID 105039485
2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine
CID 114475156
2,3,6-trimethylheptan-2-ylbenzene
CID 20588991
N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
CID 114474538
1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114474094
N,4-dimethyl-1-(2-phenyltriazol-4-yl)pent-4-en-1-amine
CID 105182681
2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
CID 83162206
(2-methyl-2-phenylhexan-3-yl)hydrazine
CID 105216295
N,3-dimethyl-3-phenyl-1-pyridin-3-ylbutan-2-amine
CID 104736266

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-2-phenylhept-6-en-3-amine?
The IUPAC name of N,2,6-trimethyl-2-phenylhept-6-en-3-amine (CID 114474619) is N,2,6-trimethyl-2-phenylhept-6-en-3-amine.
What is the SMILES notation for N,2,6-trimethyl-2-phenylhept-6-en-3-amine?
The canonical SMILES for N,2,6-trimethyl-2-phenylhept-6-en-3-amine is C=C(C)CCC(NC)C(C)(C)c1ccccc1.
What is the InChIKey of N,2,6-trimethyl-2-phenylhept-6-en-3-amine?
The InChIKey is LCPMHJHTUAGCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)11-12-15(17-5)16(3,4)14-9-7-6-8-10-14/h6-10,15,17H,1,11-12H2,2-5H3.
What are the key properties of N,2,6-trimethyl-2-phenylhept-6-en-3-amine?
N,2,6-trimethyl-2-phenylhept-6-en-3-amine has a molecular weight of 231.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-2-phenylhept-6-en-3-amine is sourced from PubChem (CID 114474619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).