N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine

C17H25N — CID 81026656

IUPACN-(2-methylpropyl)-2-phenylhept-5-yn-1-amine
SMILESCC#CCCC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H25N/c1-4-5-7-12-17(14-18-13-15(2)3)16-10-8-6-9-11-16/h6,8-11,15,17-18H,7,12-14H2,1-3H3
InChIKeyYSYGDMMQUKCPCM-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.82
Rot. Bonds7

About N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine

N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine (PubChem CID 81026656) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-phenylhept-5-yn-1-amine
PubChem CID81026656
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-(2-methylpropyl)-2-phenylhept-5-yn-1-amine
SMILESCC#CCCC(CNCC(C)C)c1ccccc1
InChIInChI=1S/C17H25N/c1-4-5-7-12-17(14-18-13-15(2)3)16-10-8-6-9-11-16/h6,8-11,15,17-18H,7,12-14H2,1-3H3
InChIKeyYSYGDMMQUKCPCM-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.82
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

2-phenyl-N-propyloct-6-yn-1-amine
CID 113456169
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
4-methyl-N-(2-methylpropyl)-2-phenylhexan-1-amine
CID 65429139
6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
CID 103020013
N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine
CID 81027801
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
3-(2-methylpropylamino)-1,1-diphenylpropan-2-ol
CID 107292960
oct-6-yn-2-ylbenzene
CID 101063649
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-1-amine
CID 81024756

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine (CID 81026656) is N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine is CC#CCCC(CNCC(C)C)c1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine?
The InChIKey is YSYGDMMQUKCPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-4-5-7-12-17(14-18-13-15(2)3)16-10-8-6-9-11-16/h6,8-11,15,17-18H,7,12-14H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine?
N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine is sourced from PubChem (CID 81026656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).