N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine

C17H27N — CID 103561357

IUPACN-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCCCC(NC1CC(C(C)C)C1)c1ccccc1
InChIInChI=1S/C17H27N/c1-4-8-17(14-9-6-5-7-10-14)18-16-11-15(12-16)13(2)3/h5-7,9-10,13,15-18H,4,8,11-12H2,1-3H3
InChIKeyLDNCTSSGPIBPNN-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.55
Rot. Bonds6

About N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine

N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103561357) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID103561357
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCCCC(NC1CC(C(C)C)C1)c1ccccc1
InChIInChI=1S/C17H27N/c1-4-8-17(14-9-6-5-7-10-14)18-16-11-15(12-16)13(2)3/h5-7,9-10,13,15-18H,4,8,11-12H2,1-3H3
InChIKeyLDNCTSSGPIBPNN-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-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

N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 43182970
1-ethyl-N-(1-phenylbutyl)piperidin-4-amine
CID 43224635
2-phenyl-N-(1-phenylbutyl)cyclopropan-1-amine
CID 63454721
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633
N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine
CID 103560913
N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103560702
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
4-methyl-N-(1-phenylpentyl)cyclohexan-1-amine
CID 43761510
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
4-(1-phenylbutylamino)piperidine-1-carboxamide
CID 43785944
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
N-[(2-methylcyclopropyl)methyl]-1-phenylbutan-1-amine
CID 115712894

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine (CID 103561357) is N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine is CCCC(NC1CC(C(C)C)C1)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is LDNCTSSGPIBPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-8-17(14-9-6-5-7-10-14)18-16-11-15(12-16)13(2)3/h5-7,9-10,13,15-18H,4,8,11-12H2,1-3H3.
What are the key properties of N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine?
N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103561357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).