1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine

C19H38N2 — CID 79060660

IUPAC1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC1CCC(C(NC)C(C)(CC)N2CCCCC2)CC1
InChIInChI=1S/C19H38N2/c1-5-16-10-12-17(13-11-16)18(20-4)19(3,6-2)21-14-8-7-9-15-21/h16-18,20H,5-15H2,1-4H3
InChIKeyRNGIOYMRRMMPDS-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine

1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine (PubChem CID 79060660) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
PubChem CID79060660
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC1CCC(C(NC)C(C)(CC)N2CCCCC2)CC1
InChIInChI=1S/C19H38N2/c1-5-16-10-12-17(13-11-16)18(20-4)19(3,6-2)21-14-8-7-9-15-21/h16-18,20H,5-15H2,1-4H3
InChIKeyRNGIOYMRRMMPDS-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069344
N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069582
[1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutyl]hydrazine
CID 105241515
(1-cyclopentyl-2-methyl-2-pyrrolidin-1-ylbutyl)hydrazine
CID 105241054
2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059842
1-cyclopropyl-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056145
1-cyclopropyl-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 79064843
2-(azepan-1-yl)-1-(4-ethylcyclohexyl)-2-methylpropan-1-amine
CID 79052643
1-(4-ethylcyclohexyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79054004
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
(1-cyclohexyl-3-methyl-3-piperidin-1-ylpentan-2-yl)hydrazine
CID 105241297
1-cyclobutyl-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79065510

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine (CID 79060660) is 1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine is CCC1CCC(C(NC)C(C)(CC)N2CCCCC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
The InChIKey is RNGIOYMRRMMPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-16-10-12-17(13-11-16)18(20-4)19(3,6-2)21-14-8-7-9-15-21/h16-18,20H,5-15H2,1-4H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine?
1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79060660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).