2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine

C16H35N3 — CID 105414133

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-6-9-15(13-17,10-7-2)19(5)14-16(18(3)4)11-8-12-16/h6-14,17H2,1-5H3
InChIKeyLXRQECFKZBICHE-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.70
Rot. Bonds9

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine (PubChem CID 105414133) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine
PubChem CID105414133
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine
SMILESCCCC(CN)(CCC)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-6-9-15(13-17,10-7-2)19(5)14-16(18(3)4)11-8-12-16/h6-14,17H2,1-5H3
InChIKeyLXRQECFKZBICHE-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 105413918
2-N,2-N-dimethyl-2-propylpentane-1,2-diamine
CID 24689392
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethanesulfonamide
CID 105420670
2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentane-1,2-diamine
CID 63232902
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 105421320
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine
CID 105414221
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
1-[[[1-(ethylaminomethyl)cyclopentyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417297
1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416257
1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
CID 105413933
2-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide
CID 105418004

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine (CID 105414133) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine is CCCC(CN)(CCC)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
The InChIKey is LXRQECFKZBICHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-9-15(13-17,10-7-2)19(5)14-16(18(3)4)11-8-12-16/h6-14,17H2,1-5H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine is sourced from PubChem (CID 105414133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).