(2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine

C15H32N2 — CID 112736755

IUPAC(2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)C[C@H](CN)CCN1CCCC(C)(C)C1
InChIInChI=1S/C15H32N2/c1-13(2)10-14(11-16)6-9-17-8-5-7-15(3,4)12-17/h13-14H,5-12,16H2,1-4H3/t14-/m1/s1
InChIKeyDUYMGNUPLWJYDT-CQSZACIVSA-N
MW240.43 g/mol
LogP3.12
Rot. Bonds6

About (2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine

(2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine (PubChem CID 112736755) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is (2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name(2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
PubChem CID112736755
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name(2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)C[C@H](CN)CCN1CCCC(C)(C)C1
InChIInChI=1S/C15H32N2/c1-13(2)10-14(11-16)6-9-17-8-5-7-15(3,4)12-17/h13-14H,5-12,16H2,1-4H3/t14-/m1/s1
InChIKeyDUYMGNUPLWJYDT-CQSZACIVSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
(2R)-1-(3,3-dimethylpiperidin-1-yl)propan-2-amine
CID 103934688
4-methyl-2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pentan-1-amine
CID 114410768
4,4-dimethyl-1-(2-methylpropyl)piperidine;3,3-dimethyl-1-propylpiperidine
CID 177033063
3,3-difluoro-1-(3-methylbutyl)piperidine
CID 59748001
6-(3,3-dimethylpiperidin-1-yl)hexanamide
CID 176680347
3-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-amine
CID 79408656
7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane
CID 176680296
2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105347823
(3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one
CID 107392505
1-(3-methoxybutyl)-3,3-dimethylpyrrolidine
CID 145296395
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one
CID 79395843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of (2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine (CID 112736755) is (2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for (2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for (2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine is CC(C)C[C@H](CN)CCN1CCCC(C)(C)C1.
What is the InChIKey of (2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine?
The InChIKey is DUYMGNUPLWJYDT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(2)10-14(11-16)6-9-17-8-5-7-15(3,4)12-17/h13-14H,5-12,16H2,1-4H3/t14-/m1/s1.
What are the key properties of (2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine?
(2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 112736755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).