N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine

C19H38N2 — CID 79060672

IUPACN-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
SMILESCCNC(C1CCCC(C)C1)C(C)(CC)N1CCCCC1
InChIInChI=1S/C19H38N2/c1-5-19(4,21-13-8-7-9-14-21)18(20-6-2)17-12-10-11-16(3)15-17/h16-18,20H,5-15H2,1-4H3
InChIKeyBRKGMWSMBGGECS-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds6

About N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine

N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine (PubChem CID 79060672) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
PubChem CID79060672
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
SMILESCCNC(C1CCCC(C)C1)C(C)(CC)N1CCCCC1
InChIInChI=1S/C19H38N2/c1-5-19(4,21-13-8-7-9-14-21)18(20-6-2)17-12-10-11-16(3)15-17/h16-18,20H,5-15H2,1-4H3
InChIKeyBRKGMWSMBGGECS-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-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069201
N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069582
[2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241067
N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79057396
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol
CID 79064908
2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059842
[2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropyl]hydrazine
CID 105239825
N-ethyl-2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056243
(1-cyclopentyl-2-methyl-2-pyrrolidin-1-ylbutyl)hydrazine
CID 105241054
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069589
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol
CID 79045834
N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069202

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine (CID 79060672) is N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine is CCNC(C1CCCC(C)C1)C(C)(CC)N1CCCCC1.
What is the InChIKey of N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine?
The InChIKey is BRKGMWSMBGGECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-19(4,21-13-8-7-9-14-21)18(20-6-2)17-12-10-11-16(3)15-17/h16-18,20H,5-15H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine?
N-ethyl-2-methyl-1-(3-methylcyclohexyl)-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 N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79060672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).