1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine

C14H22N2 — CID 80560977

IUPAC1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine
SMILESCc1ccccc1CC(C)NC1CC(N)C1
InChIInChI=1S/C14H22N2/c1-10-5-3-4-6-12(10)7-11(2)16-14-8-13(15)9-14/h3-6,11,13-14,16H,7-9,15H2,1-2H3
InChIKeyOPCOENIKFYTYAJ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.01
Rot. Bonds4

About 1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine

1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine (PubChem CID 80560977) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine
PubChem CID80560977
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine
SMILESCc1ccccc1CC(C)NC1CC(N)C1
InChIInChI=1S/C14H22N2/c1-10-5-3-4-6-12(10)7-11(2)16-14-8-13(15)9-14/h3-6,11,13-14,16H,7-9,15H2,1-2H3
InChIKeyOPCOENIKFYTYAJ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine 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

3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
CID 104584425
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 55141211
3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine
CID 80706411
N-[1-(2-methylphenyl)propan-2-yl]azepan-4-amine
CID 103981634
1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80562355
1-cyclopropyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 115713788
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60943738
2,6-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclohexan-1-amine
CID 55191586
N-[1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 75382742
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 97230058
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
CID 60943496

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine (CID 80560977) is 1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine is Cc1ccccc1CC(C)NC1CC(N)C1.
What is the InChIKey of 1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine?
The InChIKey is OPCOENIKFYTYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-5-3-4-6-12(10)7-11(2)16-14-8-13(15)9-14/h3-6,11,13-14,16H,7-9,15H2,1-2H3.
What are the key properties of 1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine?
1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80560977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).