(3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine

C13H26N2 — CID 89058642

IUPAC(3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine
SMILESC=C([C@@H](NC)C(C)C)N1CCCCC1C
InChIInChI=1S/C13H26N2/c1-10(2)13(14-5)12(4)15-9-7-6-8-11(15)3/h10-11,13-14H,4,6-9H2,1-3,5H3/t11?,13-/m0/s1
InChIKeyJCQDPIKZAQFRPX-YUZLPWPTSA-N
MW210.36 g/mol
LogP2.62
Rot. Bonds4

About (3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine

(3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine (PubChem CID 89058642) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine
PubChem CID89058642
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine
SMILESC=C([C@@H](NC)C(C)C)N1CCCCC1C
InChIInChI=1S/C13H26N2/c1-10(2)13(14-5)12(4)15-9-7-6-8-11(15)3/h10-11,13-14H,4,6-9H2,1-3,5H3/t11?,13-/m0/s1
InChIKeyJCQDPIKZAQFRPX-YUZLPWPTSA-N
XLogP2.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid
CID 43468436
N-methyl-1-[(2R)-2-methylpyrrolidin-1-yl]ethenamine
CID 166869708
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
2-methyl-N-prop-1-en-2-ylpiperidine-1-carboxamide
CID 108910296
N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108505442
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159
3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 21057232
2-methyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 17276176
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
4-fluoro-N-[3-methyl-1-(2-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzamide
CID 51145484

Frequently Asked Questions

What is the IUPAC name of (3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine?
The IUPAC name of (3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine (CID 89058642) is (3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine.
What is the SMILES notation for (3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine?
The canonical SMILES for (3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine is C=C([C@@H](NC)C(C)C)N1CCCCC1C.
What is the InChIKey of (3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine?
The InChIKey is JCQDPIKZAQFRPX-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)13(14-5)12(4)15-9-7-6-8-11(15)3/h10-11,13-14H,4,6-9H2,1-3,5H3/t11?,13-/m0/s1.
What are the key properties of (3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine?
(3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine has a molecular weight of 210.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine is sourced from PubChem (CID 89058642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).