1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C13H27N3 — CID 115449022

IUPAC1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1CC1(CN)CCC1
InChIInChI=1S/C13H27N3/c1-15(2)9-12-5-3-8-16(12)11-13(10-14)6-4-7-13/h12H,3-11,14H2,1-2H3
InChIKeyBDCVBLWWPICSIZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds5

About 1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 115449022) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID115449022
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1CC1(CN)CCC1
InChIInChI=1S/C13H27N3/c1-15(2)9-12-5-3-8-16(12)11-13(10-14)6-4-7-13/h12H,3-11,14H2,1-2H3
InChIKeyBDCVBLWWPICSIZ-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-[1-[[1-(aminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890070
N,N-dimethyl-1-[1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanamine
CID 62888681
[1-[(2-methylpyrrolidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448882
N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 62888333
1-[[1-(aminomethyl)cyclopentyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053698
1-[[1-(aminomethyl)cyclohexyl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053118
[1-[(2-methylpiperidin-1-yl)methyl]cyclobutyl]methanamine
CID 82171577
N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine
CID 62889038
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine
CID 115449090
2-[1-(aminomethyl)cyclohexyl]-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 104678156
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79313345
N-[[4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62889036

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 115449022) is 1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1CC1(CN)CCC1.
What is the InChIKey of 1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is BDCVBLWWPICSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15(2)9-12-5-3-8-16(12)11-13(10-14)6-4-7-13/h12H,3-11,14H2,1-2H3.
What are the key properties of 1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 115449022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).