(2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine

C15H24N2 — CID 112737072

IUPAC(2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine
SMILESCC1CC(NC[C@@H](N)CCc2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-12-9-15(10-12)17-11-14(16)8-7-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11,16H2,1H3/t12?,14-,15?/m0/s1
InChIKeyKBDLBSRIWYIQMI-BLZCZZARSA-N
MW232.37 g/mol
LogP2.33
Rot. Bonds6

About (2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine

(2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine (PubChem CID 112737072) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine
PubChem CID112737072
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine
SMILESCC1CC(NC[C@@H](N)CCc2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-12-9-15(10-12)17-11-14(16)8-7-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11,16H2,1H3/t12?,14-,15?/m0/s1
InChIKeyKBDLBSRIWYIQMI-BLZCZZARSA-N
XLogP2.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[[(2S)-2-amino-4-phenylbutyl]amino]-1-phenylazetidin-2-one
CID 175298549
1-(4-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929474
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
(3R)-3-[(2-amino-4-phenylbutyl)amino]-1-(4-methylphenyl)azetidin-2-one
CID 175298571
3,5-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876205
(3R)-1-phenylhexan-3-amine
CID 66612996
1,4-diphenylbutan-2-amine
CID 60820174
(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide
CID 104983814
N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
CID 114547176
1-(3-methylpiperidin-1-yl)-4-phenylbutan-2-amine
CID 114929481
1-N-cyclohexyl-3-phenylpropane-1,2-diamine
CID 61149481
N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313130

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine (CID 112737072) is (2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine is CC1CC(NC[C@@H](N)CCc2ccccc2)C1.
What is the InChIKey of (2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine?
The InChIKey is KBDLBSRIWYIQMI-BLZCZZARSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-9-15(10-12)17-11-14(16)8-7-13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11,16H2,1H3/t12?,14-,15?/m0/s1.
What are the key properties of (2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine?
(2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3-methylcyclobutyl)-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 112737072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).