3,6-dimethylpiperidin-2-amine;ethane

C9H22N2 — CID 176942680

IUPAC3,6-dimethylpiperidin-2-amine;ethane
SMILESCC.CC1CCC(C)C(N)N1
InChIInChI=1S/C7H16N2.C2H6/c1-5-3-4-6(2)9-7(5)8;1-2/h5-7,9H,3-4,8H2,1-2H3;1-2H3
InChIKeyJXYLSZPASHPFLP-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.71
Rot. Bonds

About 3,6-dimethylpiperidin-2-amine;ethane

3,6-dimethylpiperidin-2-amine;ethane (PubChem CID 176942680) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 3,6-dimethylpiperidin-2-amine;ethane.

Molecular Properties

Compound Name3,6-dimethylpiperidin-2-amine;ethane
PubChem CID176942680
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name3,6-dimethylpiperidin-2-amine;ethane
SMILESCC.CC1CCC(C)C(N)N1
InChIInChI=1S/C7H16N2.C2H6/c1-5-3-4-6(2)9-7(5)8;1-2/h5-7,9H,3-4,8H2,1-2H3;1-2H3
InChIKeyJXYLSZPASHPFLP-UHFFFAOYSA-N
XLogP1.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,5-dimethylpyrrolidine;ethane
CID 177006469
(2R,3S,6S)-2,3,6-trimethylpiperidine
CID 89331146
2,7-dimethylazepan-4-amine
CID 70340178
2,6-dimethylpiperidin-3-amine;dihydrochloride
CID 174859895
2-methyl-5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R,5S)-5-[5-[(2R)-5-methylpyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidin-2-yl]pyrrolidine
CID 58594538
2,4-dimethylcyclohexan-1-amine
CID 14675373
(1S,2R,5R)-2,5-dimethylcyclohexan-1-amine
CID 15306003
(2R,6S)-2,6-dimethylpiperidine;hydrochloride
CID 6420071
ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 156888841
ethane;1-(5-methylpyrrolidin-2-yl)ethanone
CID 145078536
(3R,6S)-6-methylpiperidin-3-amine
CID 124581989
2,5-dimethylcyclohexan-1-amine;hydrobromide
CID 17138988

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylpiperidin-2-amine;ethane?
The IUPAC name of 3,6-dimethylpiperidin-2-amine;ethane (CID 176942680) is 3,6-dimethylpiperidin-2-amine;ethane.
What is the SMILES notation for 3,6-dimethylpiperidin-2-amine;ethane?
The canonical SMILES for 3,6-dimethylpiperidin-2-amine;ethane is CC.CC1CCC(C)C(N)N1.
What is the InChIKey of 3,6-dimethylpiperidin-2-amine;ethane?
The InChIKey is JXYLSZPASHPFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H6/c1-5-3-4-6(2)9-7(5)8;1-2/h5-7,9H,3-4,8H2,1-2H3;1-2H3.
What are the key properties of 3,6-dimethylpiperidin-2-amine;ethane?
3,6-dimethylpiperidin-2-amine;ethane has a molecular weight of 158.29 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylpiperidin-2-amine;ethane is sourced from PubChem (CID 176942680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).