1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine

C14H22N2 — CID 80559993

IUPAC1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine
SMILESCC(C)C(NC1CC(N)C1)c1ccccc1
InChIInChI=1S/C14H22N2/c1-10(2)14(11-6-4-3-5-7-11)16-13-8-12(15)9-13/h3-7,10,12-14,16H,8-9,15H2,1-2H3
InChIKeyMBQBMWGGLAICER-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.46
Rot. Bonds4

About 1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine

1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine (PubChem CID 80559993) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine
PubChem CID80559993
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine
SMILESCC(C)C(NC1CC(N)C1)c1ccccc1
InChIInChI=1S/C14H22N2/c1-10(2)14(11-6-4-3-5-7-11)16-13-8-12(15)9-13/h3-7,10,12-14,16H,8-9,15H2,1-2H3
InChIKeyMBQBMWGGLAICER-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43685398
4-ethyl-N-(2-methyl-1-phenylpropyl)cycloheptan-1-amine
CID 65083894
N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
CID 65086617
1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
CID 80562292
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
5-chloro-N-(2-methyl-1-phenylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 115348805
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine
CID 104859634
1-N-[(1R)-1-(2-chlorophenyl)ethyl]cyclobutane-1,3-diamine
CID 81377651
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
N-[1-(4-fluorophenyl)-2-methylpropyl]-2,3-dihydro-1H-inden-2-amine
CID 43685519

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine (CID 80559993) is 1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine is CC(C)C(NC1CC(N)C1)c1ccccc1.
What is the InChIKey of 1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine?
The InChIKey is MBQBMWGGLAICER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)14(11-6-4-3-5-7-11)16-13-8-12(15)9-13/h3-7,10,12-14,16H,8-9,15H2,1-2H3.
What are the key properties of 1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine?
1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methyl-1-phenylpropyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80559993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).