[3-(2-methylpropyl)piperidin-4-yl]methanamine

C10H22N2 — CID 84765835

IUPAC[3-(2-methylpropyl)piperidin-4-yl]methanamine
SMILESCC(C)CC1CNCCC1CN
InChIInChI=1S/C10H22N2/c1-8(2)5-10-7-12-4-3-9(10)6-11/h8-10,12H,3-7,11H2,1-2H3
InChIKeyWJYFZRUBKUOWGM-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.22
Rot. Bonds3

About [3-(2-methylpropyl)piperidin-4-yl]methanamine

[3-(2-methylpropyl)piperidin-4-yl]methanamine (PubChem CID 84765835) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is [3-(2-methylpropyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)piperidin-4-yl]methanamine
PubChem CID84765835
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name[3-(2-methylpropyl)piperidin-4-yl]methanamine
SMILESCC(C)CC1CNCCC1CN
InChIInChI=1S/C10H22N2/c1-8(2)5-10-7-12-4-3-9(10)6-11/h8-10,12H,3-7,11H2,1-2H3
InChIKeyWJYFZRUBKUOWGM-UHFFFAOYSA-N
XLogP1.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-4-yl]methanamine
CID 21186518
[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 82602052
(3S,4S)-3-(2-methylpropyl)piperidin-4-ol
CID 93495959
(3R,4R)-3-(2-methylpropyl)piperidin-4-ol
CID 93495960
ethane;3-(2-methylpropyl)piperidin-4-ol
CID 143575873
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
CID 81009989
4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine
CID 79978067
[(2R,3R)-2-(2-methylpropyl)piperidin-3-yl]methanamine
CID 82412253
[6-methyl-4-(2-methylpropyl)piperidin-3-yl]methanamine
CID 82602060
5-(2-methylpropyl)azepane-4-carboxylic acid
CID 84669033
3-ethyl-4-(3-methylbutan-2-yl)piperidine
CID 130648715

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)piperidin-4-yl]methanamine?
The IUPAC name of [3-(2-methylpropyl)piperidin-4-yl]methanamine (CID 84765835) is [3-(2-methylpropyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [3-(2-methylpropyl)piperidin-4-yl]methanamine?
The canonical SMILES for [3-(2-methylpropyl)piperidin-4-yl]methanamine is CC(C)CC1CNCCC1CN.
What is the InChIKey of [3-(2-methylpropyl)piperidin-4-yl]methanamine?
The InChIKey is WJYFZRUBKUOWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)5-10-7-12-4-3-9(10)6-11/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)piperidin-4-yl]methanamine?
[3-(2-methylpropyl)piperidin-4-yl]methanamine has a molecular weight of 170.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 84765835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).