[1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine

C12H24N2 — CID 116929365

IUPAC[1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine
SMILESCN1CCCC(CC2(CN)CCC2)C1
InChIInChI=1S/C12H24N2/c1-14-7-2-4-11(9-14)8-12(10-13)5-3-6-12/h11H,2-10,13H2,1H3
InChIKeyIKIUKAKEQNJYCF-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.85
Rot. Bonds3

About [1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine

[1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine (PubChem CID 116929365) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is [1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine
PubChem CID116929365
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name[1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine
SMILESCN1CCCC(CC2(CN)CCC2)C1
InChIInChI=1S/C12H24N2/c1-14-7-2-4-11(9-14)8-12(10-13)5-3-6-12/h11H,2-10,13H2,1H3
InChIKeyIKIUKAKEQNJYCF-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(1-methylpiperidin-3-yl)methyl]cyclopropyl]methanol
CID 116928942
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115244261
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
4-(1-methylpiperidin-3-yl)but-2-yn-1-amine
CID 117265147
[1-[[(1-methylpiperidin-3-yl)methylamino]methyl]cyclopentyl]methanol
CID 113293535
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531
[1-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]cyclobutyl]methanol
CID 115247057
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115244469
1-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-ol
CID 115073598
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
ethane;3-ethyl-1-methylpiperidine
CID 142833851
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 104678196

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine (CID 116929365) is [1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine is CN1CCCC(CC2(CN)CCC2)C1.
What is the InChIKey of [1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine?
The InChIKey is IKIUKAKEQNJYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-14-7-2-4-11(9-14)8-12(10-13)5-3-6-12/h11H,2-10,13H2,1H3.
What are the key properties of [1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine?
[1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine has a molecular weight of 196.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpiperidin-3-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 116929365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).