1-butyl-N,2,5-trimethylpiperidin-4-amine

C12H26N2 — CID 3030418

IUPAC1-butyl-N,2,5-trimethylpiperidin-4-amine
SMILESCCCCN1CC(C)C(NC)CC1C
InChIInChI=1S/C12H26N2/c1-5-6-7-14-9-10(2)12(13-4)8-11(14)3/h10-13H,5-9H2,1-4H3
InChIKeyYZEUCZLGTBYNMY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds4

About 1-butyl-N,2,5-trimethylpiperidin-4-amine

1-butyl-N,2,5-trimethylpiperidin-4-amine (PubChem CID 3030418) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-butyl-N,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N,2,5-trimethylpiperidin-4-amine
PubChem CID3030418
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-butyl-N,2,5-trimethylpiperidin-4-amine
SMILESCCCCN1CC(C)C(NC)CC1C
InChIInChI=1S/C12H26N2/c1-5-6-7-14-9-10(2)12(13-4)8-11(14)3/h10-13H,5-9H2,1-4H3
InChIKeyYZEUCZLGTBYNMY-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-heptyl-2-methylaziridine
CID 142378837
(2S,5S)-1-butyl-2,4,5-trimethylpiperazine
CID 121478340
1-butyl-2,5-dimethylpiperidine
CID 130702123
(2R,4S,5S)-1,2,5-trimethyl-N-pentylpiperidin-4-amine
CID 93258445
1-butyl-2-methylpiperidin-4-ol
CID 119028950
1-butyl-2,6-dimethylazepane
CID 126990044
(1R)-N,2-dimethylcyclopropan-1-amine
CID 54266879
1,2,5-trimethyl-N-octan-4-ylpiperidin-4-amine
CID 113262513
1-butyl-N,5-dimethylpiperidin-3-amine
CID 112541244
4-bromo-1-butyl-2-methylpiperidine
CID 119028961
N,1,4-trimethylpyrrolidin-3-amine
CID 123430116
1-decyl-2,4,5-trimethylpiperazine
CID 3030120

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N,2,5-trimethylpiperidin-4-amine?
The IUPAC name of 1-butyl-N,2,5-trimethylpiperidin-4-amine (CID 3030418) is 1-butyl-N,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-butyl-N,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for 1-butyl-N,2,5-trimethylpiperidin-4-amine is CCCCN1CC(C)C(NC)CC1C.
What is the InChIKey of 1-butyl-N,2,5-trimethylpiperidin-4-amine?
The InChIKey is YZEUCZLGTBYNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-6-7-14-9-10(2)12(13-4)8-11(14)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-butyl-N,2,5-trimethylpiperidin-4-amine?
1-butyl-N,2,5-trimethylpiperidin-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 3030418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).