2-phenyl-N-propyloct-7-en-3-amine

C17H27N — CID 114029106

IUPAC2-phenyl-N-propyloct-7-en-3-amine
SMILESC=CCCCC(NCCC)C(C)c1ccccc1
InChIInChI=1S/C17H27N/c1-4-6-8-13-17(18-14-5-2)15(3)16-11-9-7-10-12-16/h4,7,9-12,15,17-18H,1,5-6,8,13-14H2,2-3H3
InChIKeySQMVLRULCJEYOX-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.51
Rot. Bonds9

About 2-phenyl-N-propyloct-7-en-3-amine

2-phenyl-N-propyloct-7-en-3-amine (PubChem CID 114029106) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-phenyl-N-propyloct-7-en-3-amine.

Molecular Properties

Compound Name2-phenyl-N-propyloct-7-en-3-amine
PubChem CID114029106
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-phenyl-N-propyloct-7-en-3-amine
SMILESC=CCCCC(NCCC)C(C)c1ccccc1
InChIInChI=1S/C17H27N/c1-4-6-8-13-17(18-14-5-2)15(3)16-11-9-7-10-12-16/h4,7,9-12,15,17-18H,1,5-6,8,13-14H2,2-3H3
InChIKeySQMVLRULCJEYOX-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-phenyl-N-propyloct-7-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxy-1-phenyl-N-propylhept-6-en-2-amine
CID 116773842
7-methyl-6-phenyl-N-propylnon-1-en-5-amine
CID 104987564
1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073
2,3-dimethyl-N-propylundec-10-en-4-amine
CID 107012008
1-(2-methylphenyl)sulfanyl-N-propylhept-6-en-2-amine
CID 66099075
2-ethoxy-N-propyldec-9-en-3-amine
CID 107009140
[(2S,3R)-2-phenylhept-6-en-3-yl]benzene
CID 11097015
N,4-dipropyldodec-11-en-5-amine
CID 107011617
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
N-ethyl-1-methoxy-1-phenylnon-8-en-2-amine
CID 107009776
1-(2-methylphenyl)-N-propyloct-7-en-3-amine
CID 105153242
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyloct-7-en-3-amine?
The IUPAC name of 2-phenyl-N-propyloct-7-en-3-amine (CID 114029106) is 2-phenyl-N-propyloct-7-en-3-amine.
What is the SMILES notation for 2-phenyl-N-propyloct-7-en-3-amine?
The canonical SMILES for 2-phenyl-N-propyloct-7-en-3-amine is C=CCCCC(NCCC)C(C)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propyloct-7-en-3-amine?
The InChIKey is SQMVLRULCJEYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-6-8-13-17(18-14-5-2)15(3)16-11-9-7-10-12-16/h4,7,9-12,15,17-18H,1,5-6,8,13-14H2,2-3H3.
What are the key properties of 2-phenyl-N-propyloct-7-en-3-amine?
2-phenyl-N-propyloct-7-en-3-amine has a molecular weight of 245.41 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyloct-7-en-3-amine is sourced from PubChem (CID 114029106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).