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

C18H36N2 — CID 79069201

IUPACN-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNC(C1CCCC(C)C1)C(C)(CC)N1CCCC1
InChIInChI=1S/C18H36N2/c1-5-18(4,20-12-7-8-13-20)17(19-6-2)16-11-9-10-15(3)14-16/h15-17,19H,5-14H2,1-4H3
InChIKeySVSYYFXNWMWSFS-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds6

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

N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79069201) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79069201
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNC(C1CCCC(C)C1)C(C)(CC)N1CCCC1
InChIInChI=1S/C18H36N2/c1-5-18(4,20-12-7-8-13-20)17(19-6-2)16-11-9-10-15(3)14-16/h15-17,19H,5-14H2,1-4H3
InChIKeySVSYYFXNWMWSFS-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
CID 79060672
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
(1-cyclopentyl-2-methyl-2-pyrrolidin-1-ylbutyl)hydrazine
CID 105241054
N-ethyl-2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056243
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069589
N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069202
N-[cyclopentyl-(3-methylcyclohexyl)methyl]ethanamine
CID 63415340

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine (CID 79069201) is N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine is CCNC(C1CCCC(C)C1)C(C)(CC)N1CCCC1.
What is the InChIKey of N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is SVSYYFXNWMWSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-18(4,20-12-7-8-13-20)17(19-6-2)16-11-9-10-15(3)14-16/h15-17,19H,5-14H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 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-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79069201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).