1-phenyl-N-propylhept-5-yn-2-amine

C16H23N — CID 104804600

IUPAC1-phenyl-N-propylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1ccccc1)NCCC
InChIInChI=1S/C16H23N/c1-3-5-7-12-16(17-13-4-2)14-15-10-8-6-9-11-15/h6,8-11,16-17H,4,7,12-14H2,1-2H3
InChIKeyHTLZTBPPOAMRBR-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.40
Rot. Bonds7

About 1-phenyl-N-propylhept-5-yn-2-amine

1-phenyl-N-propylhept-5-yn-2-amine (PubChem CID 104804600) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-phenyl-N-propylhept-5-yn-2-amine.

Molecular Properties

Compound Name1-phenyl-N-propylhept-5-yn-2-amine
PubChem CID104804600
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-phenyl-N-propylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1ccccc1)NCCC
InChIInChI=1S/C16H23N/c1-3-5-7-12-16(17-13-4-2)14-15-10-8-6-9-11-15/h6,8-11,16-17H,4,7,12-14H2,1-2H3
InChIKeyHTLZTBPPOAMRBR-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-N-propylhept-5-yn-2-amine
CID 104805231
1-(4-bromophenyl)-N-propylhept-5-yn-2-amine
CID 113455205
N-propyl-1-thiophen-2-ylhept-5-yn-2-amine
CID 104805257
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
1-(2,4-difluorophenyl)-N-propylhept-5-yn-2-amine
CID 104805793
N-propyl-1-pyridin-2-yloct-6-yn-3-amine
CID 105181373
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
N-propylheptadec-2-yn-6-amine
CID 105037149
N-propyldodec-2-yn-6-amine
CID 105037370
(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine
CID 10588599
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propylhept-5-yn-2-amine?
The IUPAC name of 1-phenyl-N-propylhept-5-yn-2-amine (CID 104804600) is 1-phenyl-N-propylhept-5-yn-2-amine.
What is the SMILES notation for 1-phenyl-N-propylhept-5-yn-2-amine?
The canonical SMILES for 1-phenyl-N-propylhept-5-yn-2-amine is CC#CCCC(Cc1ccccc1)NCCC.
What is the InChIKey of 1-phenyl-N-propylhept-5-yn-2-amine?
The InChIKey is HTLZTBPPOAMRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-5-7-12-16(17-13-4-2)14-15-10-8-6-9-11-15/h6,8-11,16-17H,4,7,12-14H2,1-2H3.
What are the key properties of 1-phenyl-N-propylhept-5-yn-2-amine?
1-phenyl-N-propylhept-5-yn-2-amine has a molecular weight of 229.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propylhept-5-yn-2-amine is sourced from PubChem (CID 104804600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).