N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine

C17H34N2 — CID 104745004

IUPACN-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCCC1CC)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-3-12-18-17(15-9-6-5-7-10-15)14-19-13-8-11-16(19)4-2/h15-18H,3-14H2,1-2H3
InChIKeyRHJHROQMQYYWFD-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds7

About N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine

N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine (PubChem CID 104745004) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine
PubChem CID104745004
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CN1CCCC1CC)C1CCCCC1
InChIInChI=1S/C17H34N2/c1-3-12-18-17(15-9-6-5-7-10-15)14-19-13-8-11-16(19)4-2/h15-18H,3-14H2,1-2H3
InChIKeyRHJHROQMQYYWFD-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 104745688
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-cyclohexylethyl]propan-1-amine
CID 104746918
N-[1-cyclohexyl-2-(3-methylmorpholin-4-yl)ethyl]propan-1-amine
CID 104744783
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
4-(2-ethylazepan-1-yl)-N-propylbutan-2-amine
CID 104689484
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-cyclohexyl-2-(2-ethylpiperidin-1-yl)ethanamine
CID 113448010
N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine
CID 63915143
1-[2-cyclohexyl-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747098
1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol
CID 43266432
1-(2-ethylazepan-1-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 104692007

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine (CID 104745004) is N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine is CCCNC(CN1CCCC1CC)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine?
The InChIKey is RHJHROQMQYYWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-12-18-17(15-9-6-5-7-10-15)14-19-13-8-11-16(19)4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine?
N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(2-ethylpyrrolidin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104745004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).