1-[(dibutylamino)methyl]cyclobutan-1-amine

C13H28N2 — CID 81168233

IUPAC1-[(dibutylamino)methyl]cyclobutan-1-amine
SMILESCCCCN(CCCC)CC1(N)CCC1
InChIInChI=1S/C13H28N2/c1-3-5-10-15(11-6-4-2)12-13(14)8-7-9-13/h3-12,14H2,1-2H3
InChIKeyUNLIFFFSOFEYLK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.77
Rot. Bonds8

About 1-[(dibutylamino)methyl]cyclobutan-1-amine

1-[(dibutylamino)methyl]cyclobutan-1-amine (PubChem CID 81168233) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-[(dibutylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(dibutylamino)methyl]cyclobutan-1-amine
PubChem CID81168233
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-[(dibutylamino)methyl]cyclobutan-1-amine
SMILESCCCCN(CCCC)CC1(N)CCC1
InChIInChI=1S/C13H28N2/c1-3-5-10-15(11-6-4-2)12-13(14)8-7-9-13/h3-12,14H2,1-2H3
InChIKeyUNLIFFFSOFEYLK-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[butyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 60852457
N'-[(1-aminocyclobutyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 81170922
N'-[(1-aminocyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994452
1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine
CID 114011161
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-butylbutan-1-amine
CID 65013664
1-[[methyl(propyl)amino]methyl]cyclopentan-1-amine
CID 60854443
1-[[cyclopropylmethyl(propyl)amino]methyl]cyclohexan-1-amine
CID 61443301
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylbutan-1-amine
CID 62262847
1-heptylcycloheptan-1-amine
CID 63407607
N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 113430567
N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994473
1-butylcyclohexan-1-amine
CID 13182498

Frequently Asked Questions

What is the IUPAC name of 1-[(dibutylamino)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(dibutylamino)methyl]cyclobutan-1-amine (CID 81168233) is 1-[(dibutylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(dibutylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(dibutylamino)methyl]cyclobutan-1-amine is CCCCN(CCCC)CC1(N)CCC1.
What is the InChIKey of 1-[(dibutylamino)methyl]cyclobutan-1-amine?
The InChIKey is UNLIFFFSOFEYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-5-10-15(11-6-4-2)12-13(14)8-7-9-13/h3-12,14H2,1-2H3.
What are the key properties of 1-[(dibutylamino)methyl]cyclobutan-1-amine?
1-[(dibutylamino)methyl]cyclobutan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dibutylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81168233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).