N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine

C19H38N2 — CID 79057396

IUPACN,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNC(C1CCCC(C)C1)C(CC)(CC)N1CCCC1
InChIInChI=1S/C19H38N2/c1-5-19(6-2,21-13-8-9-14-21)18(20-7-3)17-12-10-11-16(4)15-17/h16-18,20H,5-15H2,1-4H3
InChIKeyUUVCHSBSPDDYIM-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds7

About N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine

N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79057396) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79057396
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNC(C1CCCC(C)C1)C(CC)(CC)N1CCCC1
InChIInChI=1S/C19H38N2/c1-5-19(6-2,21-13-8-9-14-21)18(20-7-3)17-12-10-11-16(4)15-17/h16-18,20H,5-15H2,1-4H3
InChIKeyUUVCHSBSPDDYIM-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine (CID 79057396) is N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine is CCNC(C1CCCC(C)C1)C(CC)(CC)N1CCCC1.
What is the InChIKey of N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is UUVCHSBSPDDYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-19(6-2,21-13-8-9-14-21)18(20-7-3)17-12-10-11-16(4)15-17/h16-18,20H,5-15H2,1-4H3.
What are the key properties of N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine?
N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79057396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).