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

C16H25N — CID 103560913

IUPACN-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCC(CNC1CC(C(C)C)C1)c1ccccc1
InChIInChI=1S/C16H25N/c1-12(2)15-9-16(10-15)17-11-13(3)14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3
InChIKeyJZKDVUILXQDTNL-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.81
Rot. Bonds5

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

N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103560913) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine
PubChem CID103560913
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine
SMILESCC(CNC1CC(C(C)C)C1)c1ccccc1
InChIInChI=1S/C16H25N/c1-12(2)15-9-16(10-15)17-11-13(3)14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3
InChIKeyJZKDVUILXQDTNL-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
3-(2-fluorophenyl)-N-(2-phenylpropyl)cyclobutan-1-amine
CID 43634457
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
CID 104591432
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine
CID 103561357
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
4-(2-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748733
4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine
CID 65090143
N-(dicyclopropylmethyl)-2-phenylpropan-1-amine
CID 43204178
N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769154
3,5-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876205

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine (CID 103560913) is N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine is CC(CNC1CC(C(C)C)C1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is JZKDVUILXQDTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)15-9-16(10-15)17-11-13(3)14-7-5-4-6-8-14/h4-8,12-13,15-17H,9-11H2,1-3H3.
What are the key properties of N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine?
N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103560913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).