1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine

C14H30N2 — CID 62624076

IUPAC1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
SMILESCCC1CCCN(CCC(N)C(C)(C)C)C1
InChIInChI=1S/C14H30N2/c1-5-12-7-6-9-16(11-12)10-8-13(15)14(2,3)4/h12-13H,5-11,15H2,1-4H3
InChIKeyTVGKDWGVJZIJGA-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds4

About 1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine

1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine (PubChem CID 62624076) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
PubChem CID62624076
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
SMILESCCC1CCCN(CCC(N)C(C)(C)C)C1
InChIInChI=1S/C14H30N2/c1-5-12-7-6-9-16(11-12)10-8-13(15)14(2,3)4/h12-13H,5-11,15H2,1-4H3
InChIKeyTVGKDWGVJZIJGA-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
2-amino-4-(3-ethylpiperidin-1-yl)butanenitrile
CID 63028493
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
3-ethyl-1-(2,2,3,4-tetramethylpentyl)piperidine
CID 134317869
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617209
N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561731
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
3-(3-ethylpiperidin-1-yl)propane-1-sulfonamide
CID 115608712
3-ethyl-1-heptylpiperidine
CID 171569576
1-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-3-amine
CID 55098190

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine (CID 62624076) is 1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine is CCC1CCCN(CCC(N)C(C)(C)C)C1.
What is the InChIKey of 1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine?
The InChIKey is TVGKDWGVJZIJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-12-7-6-9-16(11-12)10-8-13(15)14(2,3)4/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine?
1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 62624076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).