1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine

C13H28N2 — CID 65039089

IUPAC1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine
SMILESCCC(CC)(CC)N1CCC(N)CC1C
InChIInChI=1S/C13H28N2/c1-5-13(6-2,7-3)15-9-8-12(14)10-11(15)4/h11-12H,5-10,14H2,1-4H3
InChIKeyVVNVLKMKYUMFKD-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.77
Rot. Bonds4

About 1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine

1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine (PubChem CID 65039089) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine
PubChem CID65039089
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine
SMILESCCC(CC)(CC)N1CCC(N)CC1C
InChIInChI=1S/C13H28N2/c1-5-13(6-2,7-3)15-9-8-12(14)10-11(15)4/h11-12H,5-10,14H2,1-4H3
InChIKeyVVNVLKMKYUMFKD-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine
CID 167068209
6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine
CID 155187142
1-(4-amino-2-methylpiperidin-1-yl)-3-cyclopentylpropan-2-ol
CID 103160911
2-(4-amino-2-methylpiperidin-1-yl)acetonitrile
CID 115313042
3-(4-amino-2-methylpiperidin-1-yl)-3-oxopropanamide;hydrochloride
CID 131089427
2-(4-amino-2-methylpiperidin-1-yl)butanenitrile
CID 115313000
bis[2-(4-aminopiperidin-1-yl)-2-ethylbutoxy]-oxophosphanium
CID 69117672
4-amino-N-butyl-2-methylpiperidine-1-carboxamide
CID 115312277
1-(2,2-dimethylcyclobutyl)-2-methylpiperidin-4-amine
CID 130554797
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 116616987
1-ethyl-2,6-dimethylpiperidin-4-amine
CID 54320908
1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine
CID 115313002

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine?
The IUPAC name of 1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine (CID 65039089) is 1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine is CCC(CC)(CC)N1CCC(N)CC1C.
What is the InChIKey of 1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine?
The InChIKey is VVNVLKMKYUMFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(6-2,7-3)15-9-8-12(14)10-11(15)4/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine?
1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine has a molecular weight of 212.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine is sourced from PubChem (CID 65039089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).