N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine

C15H31N3 — CID 105418081

IUPACN-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)CC1(N(C)C)CCC1)C1CC1
InChIInChI=1S/C15H31N3/c1-13(14-6-7-14)16-10-11-18(4)12-15(17(2)3)8-5-9-15/h13-14,16H,5-12H2,1-4H3
InChIKeyDQALVUJBOPUSSR-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds8

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

N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 105418081) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
PubChem CID105418081
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
SMILESCC(NCCN(C)CC1(N(C)C)CCC1)C1CC1
InChIInChI=1S/C15H31N3/c1-13(14-6-7-14)16-10-11-18(4)12-15(17(2)3)8-5-9-15/h13-14,16H,5-12H2,1-4H3
InChIKeyDQALVUJBOPUSSR-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine
CID 105418094
N-(1-cyclopropylethyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557230
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,3-N-dimethylbutane-1,3-diamine
CID 105414306
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 105414513
N-(1-cyclopropylethyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 55089114
1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
CID 105413933
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
CID 105414329
N-(1-cyclopropylethyl)-N'-methyl-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62554352
2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile
CID 105416596
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884
N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560588
1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416269

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine (CID 105418081) is N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine is CC(NCCN(C)CC1(N(C)C)CCC1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is DQALVUJBOPUSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(14-6-7-14)16-10-11-18(4)12-15(17(2)3)8-5-9-15/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine?
N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 105418081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).