[1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine

C12H24N2 — CID 130689917

IUPAC[1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine
SMILESCC1CC1C(C)N1CCCC(CN)C1
InChIInChI=1S/C12H24N2/c1-9-6-12(9)10(2)14-5-3-4-11(7-13)8-14/h9-12H,3-8,13H2,1-2H3
InChIKeyKGAOONCZBGDUGX-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.70
Rot. Bonds3

About [1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine

[1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine (PubChem CID 130689917) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is [1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine
PubChem CID130689917
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name[1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine
SMILESCC1CC1C(C)N1CCCC(CN)C1
InChIInChI=1S/C12H24N2/c1-9-6-12(9)10(2)14-5-3-4-11(7-13)8-14/h9-12H,3-8,13H2,1-2H3
InChIKeyKGAOONCZBGDUGX-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-cyclopentylethyl)pyrrolidin-3-yl]methanamine
CID 62632841
2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
CID 55210780
[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915816
ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 98085621
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
(1-prop-1-en-2-ylpiperidin-3-yl)methanamine
CID 170576253
2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 115492059
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-3-yl]methanamine
CID 69192601
1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701233
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine (CID 130689917) is [1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine is CC1CC1C(C)N1CCCC(CN)C1.
What is the InChIKey of [1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine?
The InChIKey is KGAOONCZBGDUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9-6-12(9)10(2)14-5-3-4-11(7-13)8-14/h9-12H,3-8,13H2,1-2H3.
What are the key properties of [1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine?
[1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine has a molecular weight of 196.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-methylcyclopropyl)ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 130689917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).