N-(1-cyclobutylethyl)-1-phenylbutan-2-amine

C16H25N — CID 115716509

IUPACN-(1-cyclobutylethyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NC(C)C1CCC1
InChIInChI=1S/C16H25N/c1-3-16(12-14-8-5-4-6-9-14)17-13(2)15-10-7-11-15/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3
InChIKeyRXSBKWAKEMLUIU-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.79
Rot. Bonds6

About N-(1-cyclobutylethyl)-1-phenylbutan-2-amine

N-(1-cyclobutylethyl)-1-phenylbutan-2-amine (PubChem CID 115716509) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-1-phenylbutan-2-amine
PubChem CID115716509
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(1-cyclobutylethyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NC(C)C1CCC1
InChIInChI=1S/C16H25N/c1-3-16(12-14-8-5-4-6-9-14)17-13(2)15-10-7-11-15/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3
InChIKeyRXSBKWAKEMLUIU-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-cyclobutyl-3-methylpentyl)benzene
CID 54503579
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261055
4-methyl-N-(1-phenylbutan-2-yl)hexan-2-amine
CID 79009148
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
(2S)-1-morpholin-4-yl-N-[(1R)-1-(oxan-4-yl)ethyl]-3-phenylpropan-2-amine
CID 97322359
N'-cyclopentyl-N'-methyl-N-(1-phenylbutan-2-yl)ethane-1,2-diamine
CID 79008013
2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 110015652
2-cyclohexylpropylbenzene
CID 15846297
1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
CID 103779090
3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008421

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-1-phenylbutan-2-amine?
The IUPAC name of N-(1-cyclobutylethyl)-1-phenylbutan-2-amine (CID 115716509) is N-(1-cyclobutylethyl)-1-phenylbutan-2-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-1-phenylbutan-2-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NC(C)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-1-phenylbutan-2-amine?
The InChIKey is RXSBKWAKEMLUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-16(12-14-8-5-4-6-9-14)17-13(2)15-10-7-11-15/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3.
What are the key properties of N-(1-cyclobutylethyl)-1-phenylbutan-2-amine?
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 115716509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).