2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine

C12H25N3 — CID 81005238

IUPAC2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
SMILESCN1CCCC1CN(C)C1CCC1CN
InChIInChI=1S/C12H25N3/c1-14-7-3-4-11(14)9-15(2)12-6-5-10(12)8-13/h10-12H,3-9,13H2,1-2H3
InChIKeyLGIWCBMZASORGH-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.75
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine

2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine (PubChem CID 81005238) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
PubChem CID81005238
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
SMILESCN1CCCC1CN(C)C1CCC1CN
InChIInChI=1S/C12H25N3/c1-14-7-3-4-11(14)9-15(2)12-6-5-10(12)8-13/h10-12H,3-9,13H2,1-2H3
InChIKeyLGIWCBMZASORGH-UHFFFAOYSA-N
XLogP0.75
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79303418
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 79318444
2,2-dimethyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclopentan-1-ol
CID 79857164
2-N-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopentane-1,2-diamine
CID 79313963
2-(aminomethyl)-N-(cyclobutylmethyl)-N-methylcyclopentan-1-amine
CID 62860935
4,4-dimethyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexan-1-ol
CID 79315635
2-N,2,4-trimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]pentane-1,2-diamine
CID 79303527
N-methyl-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine
CID 39781787
N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]thian-4-amine
CID 39781789
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine
CID 79319905
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
3,3-dimethoxy-2-N,2-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1,2-diamine
CID 79303319

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine (CID 81005238) is 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine is CN1CCCC1CN(C)C1CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is LGIWCBMZASORGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-7-3-4-11(14)9-15(2)12-6-5-10(12)8-13/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81005238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).