2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine

C14H30N2 — CID 114593809

IUPAC2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine
SMILESCCC(CN)CCN1CC(C)CC(C)C1C
InChIInChI=1S/C14H30N2/c1-5-14(9-15)6-7-16-10-11(2)8-12(3)13(16)4/h11-14H,5-10,15H2,1-4H3
InChIKeyHAWZNOBEYQAKLZ-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.73
Rot. Bonds5

About 2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine

2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine (PubChem CID 114593809) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine
PubChem CID114593809
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine
SMILESCCC(CN)CCN1CC(C)CC(C)C1C
InChIInChI=1S/C14H30N2/c1-5-14(9-15)6-7-16-10-11(2)8-12(3)13(16)4/h11-14H,5-10,15H2,1-4H3
InChIKeyHAWZNOBEYQAKLZ-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
4-(2,4-dimethylpiperidin-1-yl)-2-ethylbutan-1-amine
CID 81080026
2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
CID 114597780
2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597515
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
1-amino-2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)pentan-2-ol
CID 114597568
4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide
CID 114593354
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine
CID 114593805
2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597525
methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate
CID 114596367
1-(2-chlorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596708
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide
CID 114266437

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine (CID 114593809) is 2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine is CCC(CN)CCN1CC(C)CC(C)C1C.
What is the InChIKey of 2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine?
The InChIKey is HAWZNOBEYQAKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14(9-15)6-7-16-10-11(2)8-12(3)13(16)4/h11-14H,5-10,15H2,1-4H3.
What are the key properties of 2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine?
2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 114593809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).