N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine

C15H24N2 — CID 102875205

IUPACN'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN)C2CCC2)cc1C
InChIInChI=1S/C15H24N2/c1-12-6-7-14(10-13(12)2)11-17(9-8-16)15-4-3-5-15/h6-7,10,15H,3-5,8-9,11,16H2,1-2H3
InChIKeyBVKLVKOUHQDPAD-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.62
Rot. Bonds5

About N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine

N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine (PubChem CID 102875205) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
PubChem CID102875205
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN)C2CCC2)cc1C
InChIInChI=1S/C15H24N2/c1-12-6-7-14(10-13(12)2)11-17(9-8-16)15-4-3-5-15/h6-7,10,15H,3-5,8-9,11,16H2,1-2H3
InChIKeyBVKLVKOUHQDPAD-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutanamine
CID 102861334
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192
N-(2-aminoethyl)-N-cyclopentyl-2-(3,4-dimethylphenyl)acetamide
CID 63754631
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 39349485
4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
CID 43270531
N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 102879102
N'-cycloheptyl-N'-[(3-ethoxyphenyl)methyl]ethane-1,2-diamine
CID 39396373
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599047
N'-cyclopropyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 62544891

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine (CID 102875205) is N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine is Cc1ccc(CN(CCN)C2CCC2)cc1C.
What is the InChIKey of N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is BVKLVKOUHQDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-7-14(10-13(12)2)11-17(9-8-16)15-4-3-5-15/h6-7,10,15H,3-5,8-9,11,16H2,1-2H3.
What are the key properties of N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine?
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 102875205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).