N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine

C15H24N2 — CID 106313172

IUPACN'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCC2(C)CCC2)cc1
InChIInChI=1S/C15H24N2/c1-12-4-6-13(7-5-12)14(16)10-17-11-15(2)8-3-9-15/h4-7,14,17H,3,8-11,16H2,1-2H3
InChIKeyXVAWIUSGZMHPKB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.77
Rot. Bonds5

About N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine

N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 106313172) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID106313172
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCC2(C)CCC2)cc1
InChIInChI=1S/C15H24N2/c1-12-4-6-13(7-5-12)14(16)10-17-11-15(2)8-3-9-15/h4-7,14,17H,3,8-11,16H2,1-2H3
InChIKeyXVAWIUSGZMHPKB-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-Benzylethylenediamine
CID 77801
N-Methyl-1-phenylethylamine
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N-Butyl-alpha-methylbenzenemethanamine
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N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
N,alpha-Diethylbenzeneethanamine
CID 14833603

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine (CID 106313172) is N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(N)CNCC2(C)CCC2)cc1.
What is the InChIKey of N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is XVAWIUSGZMHPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-4-6-13(7-5-12)14(16)10-17-11-15(2)8-3-9-15/h4-7,14,17H,3,8-11,16H2,1-2H3.
What are the key properties of N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylcyclobutyl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106313172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).