N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine

C16H25N — CID 113474995

IUPACN-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
SMILESCC(CCNCC(C)C1CC1)c1ccccc1
InChIInChI=1S/C16H25N/c1-13(15-6-4-3-5-7-15)10-11-17-12-14(2)16-8-9-16/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyISWJACFIDWTAAJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.82
Rot. Bonds7

About N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine

N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine (PubChem CID 113474995) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
PubChem CID113474995
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
SMILESCC(CCNCC(C)C1CC1)c1ccccc1
InChIInChI=1S/C16H25N/c1-13(15-6-4-3-5-7-15)10-11-17-12-14(2)16-8-9-16/h3-7,13-14,16-17H,8-12H2,1-2H3
InChIKeyISWJACFIDWTAAJ-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-(1-phenylethyl)propan-1-amine
CID 115638910
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
CID 62986615
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
N-(dicyclopropylmethyl)-2-phenylpropan-1-amine
CID 43204178
3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine
CID 79352188
N-[(2-methyloxolan-3-yl)methyl]-3-phenylbutan-1-amine
CID 114104984
N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylbutan-1-amine
CID 107094689
3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine
CID 63422232
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
N-(3-phenylbutyl)hexan-1-amine
CID 63420973
3-phenyl-N-(2-thiomorpholin-4-ylethyl)butan-1-amine
CID 107095351

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine?
The IUPAC name of N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine (CID 113474995) is N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine.
What is the SMILES notation for N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine?
The canonical SMILES for N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine is CC(CCNCC(C)C1CC1)c1ccccc1.
What is the InChIKey of N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine?
The InChIKey is ISWJACFIDWTAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(15-6-4-3-5-7-15)10-11-17-12-14(2)16-8-9-16/h3-7,13-14,16-17H,8-12H2,1-2H3.
What are the key properties of N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine?
N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine has a molecular weight of 231.38 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-cyclopropylpropyl)-3-phenylbutan-1-amine is sourced from PubChem (CID 113474995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).