(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide

C15H31N3O — CID 83020793

IUPAC(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NN1C(C)CCCC1C
InChIInChI=1S/C15H31N3O/c1-11(2)8-14(10-16)9-15(19)17-18-12(3)6-5-7-13(18)4/h11-14H,5-10,16H2,1-4H3,(H,17,19)/t12?,13?,14-/m0/s1
InChIKeyPKVQBVDYEYOVPT-RUXDESIVSA-N
MW269.43 g/mol
LogP2.29
Rot. Bonds6

About (3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide

(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide (PubChem CID 83020793) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide
PubChem CID83020793
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NN1C(C)CCCC1C
InChIInChI=1S/C15H31N3O/c1-11(2)8-14(10-16)9-15(19)17-18-12(3)6-5-7-13(18)4/h11-14H,5-10,16H2,1-4H3,(H,17,19)/t12?,13?,14-/m0/s1
InChIKeyPKVQBVDYEYOVPT-RUXDESIVSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide
CID 83021752
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122155414
3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide
CID 106135609
2-amino-N-[2-[(2,6-dimethylpiperidin-1-yl)amino]-2-oxoethyl]acetamide
CID 83020997
3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid
CID 83024199
(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide
CID 106026147
2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide
CID 83024120
(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide
CID 104873493
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625
3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide
CID 79878870
3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one
CID 116577015
(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide
CID 79878962

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide (CID 83020793) is (3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide is CC(C)C[C@H](CN)CC(=O)NN1C(C)CCCC1C.
What is the InChIKey of (3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide?
The InChIKey is PKVQBVDYEYOVPT-RUXDESIVSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(2)8-14(10-16)9-15(19)17-18-12(3)6-5-7-13(18)4/h11-14H,5-10,16H2,1-4H3,(H,17,19)/t12?,13?,14-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide?
(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide has a molecular weight of 269.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide is sourced from PubChem (CID 83020793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).