1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine

C13H20N2 — CID 81349548

IUPAC1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
SMILESCc1ccc([C@@H](C)NC2CC(N)C2)cc1
InChIInChI=1S/C13H20N2/c1-9-3-5-11(6-4-9)10(2)15-13-7-12(14)8-13/h3-6,10,12-13,15H,7-8,14H2,1-2H3/t10-,12?,13?/m1/s1
InChIKeyKHYIBCMKLMVORW-QFWMXSHPSA-N
MW204.32 g/mol
LogP2.14
Rot. Bonds3

About 1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine

1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine (PubChem CID 81349548) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
PubChem CID81349548
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
SMILESCc1ccc([C@@H](C)NC2CC(N)C2)cc1
InChIInChI=1S/C13H20N2/c1-9-3-5-11(6-4-9)10(2)15-13-7-12(14)8-13/h3-6,10,12-13,15H,7-8,14H2,1-2H3/t10-,12?,13?/m1/s1
InChIKeyKHYIBCMKLMVORW-QFWMXSHPSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561638
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
1-N-[1-(4-methylphenyl)propyl]cyclobutane-1,3-diamine
CID 80559783
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
1-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80562217
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
3-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 60946183
4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349448
N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 54863084
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
3,3,5,5-tetramethyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 103961012

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine (CID 81349548) is 1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine is Cc1ccc([C@@H](C)NC2CC(N)C2)cc1.
What is the InChIKey of 1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine?
The InChIKey is KHYIBCMKLMVORW-QFWMXSHPSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-3-5-11(6-4-9)10(2)15-13-7-12(14)8-13/h3-6,10,12-13,15H,7-8,14H2,1-2H3/t10-,12?,13?/m1/s1.
What are the key properties of 1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine?
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 81349548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).