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

C13H27N3 — CID 105413933

IUPAC1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
SMILESCN(CC1(N(C)C)CCC1)C(CN)C1CC1
InChIInChI=1S/C13H27N3/c1-15(2)13(7-4-8-13)10-16(3)12(9-14)11-5-6-11/h11-12H,4-10,14H2,1-3H3
InChIKeyWKBXERPMVVQLFO-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds6

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

1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine (PubChem CID 105413933) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
PubChem CID105413933
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
SMILESCN(CC1(N(C)C)CCC1)C(CN)C1CC1
InChIInChI=1S/C13H27N3/c1-15(2)13(7-4-8-13)10-16(3)12(9-14)11-5-6-11/h11-12H,4-10,14H2,1-3H3
InChIKeyWKBXERPMVVQLFO-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Amino-1-cyclopropylethyl)dimethylamine
CID 43655002
(1-Amino-4-methylpentan-2-yl)diethylamine
CID 42933681
1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 75382833
1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine
CID 116652638
1-cyclopropyl-N-(2-fluoroethyl)-N-methylethane-1,2-diamine
CID 116652664
1-N-(2-aminoethyl)-2-methyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 17846899
N'-(1-cyclopropylethyl)-N,N'-dimethylethane-1,2-diamine
CID 43569267
2-Cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine
CID 57275496
N',N'-dimethyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 57723083
1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 57898457
1-cyclopropyl-N-ethylethane-1,2-diamine
CID 62066227
1-cyclopropyl-N-propylethane-1,2-diamine
CID 62066602

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine (CID 105413933) is 1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine is CN(CC1(N(C)C)CCC1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine?
The InChIKey is WKBXERPMVVQLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15(2)13(7-4-8-13)10-16(3)12(9-14)11-5-6-11/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine?
1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 105413933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).