N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine

C18H31N3 — CID 105414502

IUPACN'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCc1cc(C)cc(C(N)CN(C)CC2(N(C)C)CCC2)c1
InChIInChI=1S/C18H31N3/c1-14-9-15(2)11-16(10-14)17(19)12-21(5)13-18(20(3)4)7-6-8-18/h9-11,17H,6-8,12-13,19H2,1-5H3
InChIKeyKOEQPRYDXUROSF-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.72
Rot. Bonds6

About N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine

N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 105414502) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
PubChem CID105414502
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCc1cc(C)cc(C(N)CN(C)CC2(N(C)C)CCC2)c1
InChIInChI=1S/C18H31N3/c1-14-9-15(2)11-16(10-14)17(19)12-21(5)13-18(20(3)4)7-6-8-18/h9-11,17H,6-8,12-13,19H2,1-5H3
InChIKeyKOEQPRYDXUROSF-UHFFFAOYSA-N
XLogP2.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 105414536
1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
CID 107522113
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol
CID 105416501
1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine
CID 105417210
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-phenylpropane-1-thiol
CID 105418786
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105416425
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]butane-1-thiol
CID 105418791
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
CID 105418772

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine (CID 105414502) is N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine is Cc1cc(C)cc(C(N)CN(C)CC2(N(C)C)CCC2)c1.
What is the InChIKey of N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is KOEQPRYDXUROSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14-9-15(2)11-16(10-14)17(19)12-21(5)13-18(20(3)4)7-6-8-18/h9-11,17H,6-8,12-13,19H2,1-5H3.
What are the key properties of N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 105414502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).