1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine

C13H29N3 — CID 105414329

IUPAC1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H29N3/c1-12(14)7-5-10-16(4)11-13(15(2)3)8-6-9-13/h12H,5-11,14H2,1-4H3
InChIKeyQLRKWYVMHSNHAI-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds7

About 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine

1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine (PubChem CID 105414329) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
PubChem CID105414329
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
SMILESCC(N)CCCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H29N3/c1-12(14)7-5-10-16(4)11-13(15(2)3)8-6-9-13/h12H,5-11,14H2,1-4H3
InChIKeyQLRKWYVMHSNHAI-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 105414513
1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416269
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-2-(2-methylpropyl)butane-1,4-diamine
CID 105421315
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 105421320
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,3-N-dimethylbutane-1,3-diamine
CID 105414306
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine
CID 105417210
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710145
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
CID 105418081
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine
CID 105418094

Frequently Asked Questions

What is the IUPAC name of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine (CID 105414329) is 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine is CC(N)CCCN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine?
The InChIKey is QLRKWYVMHSNHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(14)7-5-10-16(4)11-13(15(2)3)8-6-9-13/h12H,5-11,14H2,1-4H3.
What are the key properties of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine?
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 105414329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).