N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine

C13H27N3 — CID 115449103

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCN(CC1CCCN1C)CC1(CN)CCC1
InChIInChI=1S/C13H27N3/c1-15(9-12-5-3-8-16(12)2)11-13(10-14)6-4-7-13/h12H,3-11,14H2,1-2H3
InChIKeyNSKZSWJOQBFHIZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 115449103) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
PubChem CID115449103
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
SMILESCN(CC1CCCN1C)CC1(CN)CCC1
InChIInChI=1S/C13H27N3/c1-15(9-12-5-3-8-16(12)2)11-13(10-14)6-4-7-13/h12H,3-11,14H2,1-2H3
InChIKeyNSKZSWJOQBFHIZ-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

N-[[1-(bromomethyl)cyclopentyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79319455
[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexyl]methanol
CID 79312845
[1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cycloheptyl]methanol
CID 79312693
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 81169351
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115244261
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 79319125
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63633209
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79313345
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine
CID 79304256
1-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79313273
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63631821
1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115449022

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine (CID 115449103) is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine is CN(CC1CCCN1C)CC1(CN)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is NSKZSWJOQBFHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15(9-12-5-3-8-16(12)2)11-13(10-14)6-4-7-13/h12H,3-11,14H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine 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 N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 115449103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).