(2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine

C13H28N2 — CID 129418821

IUPAC(2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine
SMILESCC(C)C[C@H](C)N[C@H](C)[C@H]1CCCNC1
InChIInChI=1S/C13H28N2/c1-10(2)8-11(3)15-12(4)13-6-5-7-14-9-13/h10-15H,5-9H2,1-4H3/t11-,12+,13-/m0/s1
InChIKeyVOSOEWVKROLXRF-XQQFMLRXSA-N
MW212.38 g/mol
LogP2.40
Rot. Bonds5

About (2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine

(2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine (PubChem CID 129418821) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is (2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine
PubChem CID129418821
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name(2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine
SMILESCC(C)C[C@H](C)N[C@H](C)[C@H]1CCCNC1
InChIInChI=1S/C13H28N2/c1-10(2)8-11(3)15-12(4)13-6-5-7-14-9-13/h10-15H,5-9H2,1-4H3/t11-,12+,13-/m0/s1
InChIKeyVOSOEWVKROLXRF-XQQFMLRXSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopentylethyl)-4-methylpentan-2-amine
CID 62632621
N-[(1S)-1-cyclopentylethyl]-4-methylpentan-2-amine
CID 81386383
3-methyl-1-piperidin-3-ylbutan-1-amine
CID 82412260
1-(1-piperidin-3-ylethyl)-3-propan-2-ylurea
CID 43523388
N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine
CID 81386842
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553
N-(1-piperidin-3-ylethyl)cyclopentanecarboxamide
CID 43523140
1-(1-piperidin-3-ylethyl)-3-propylurea
CID 43523385
6,8-dimethyl-2-piperidin-3-ylnonan-4-one
CID 114201596
2-cyclobutyl-N-(1-piperidin-3-ylethyl)acetamide
CID 103806063
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166
(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine (CID 129418821) is (2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine is CC(C)C[C@H](C)N[C@H](C)[C@H]1CCCNC1.
What is the InChIKey of (2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine?
The InChIKey is VOSOEWVKROLXRF-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)8-11(3)15-12(4)13-6-5-7-14-9-13/h10-15H,5-9H2,1-4H3/t11-,12+,13-/m0/s1.
What are the key properties of (2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine?
(2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-[(1R)-1-[(3S)-piperidin-3-yl]ethyl]pentan-2-amine is sourced from PubChem (CID 129418821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).