[4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone

C16H29NO — CID 6422642

IUPAC[4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESCCC(C)CC1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H29NO/c1-3-13(2)12-14-6-8-15(9-7-14)16(18)17-10-4-5-11-17/h13-15H,3-12H2,1-2H3
InChIKeyHDJVDWFGFDHOKH-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.85
Rot. Bonds4

About [4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone

[4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone (PubChem CID 6422642) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone
PubChem CID6422642
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone
SMILESCCC(C)CC1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H29NO/c1-3-13(2)12-14-6-8-15(9-7-14)16(18)17-10-4-5-11-17/h13-15H,3-12H2,1-2H3
InChIKeyHDJVDWFGFDHOKH-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide
CID 97316640
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
(2R)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
CID 93209950
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109144455
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
CID 170583194
cyclopropyl-(4-propylazepan-1-yl)methanone
CID 49008153
2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113003024
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-ethylbutan-1-one
CID 113005988
ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
[4-(1-aminoethyl)piperidin-1-yl]-(4-butylcyclohexyl)methanone;hydrochloride
CID 119520046
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone (CID 6422642) is [4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone is CCC(C)CC1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HDJVDWFGFDHOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-13(2)12-14-6-8-15(9-7-14)16(18)17-10-4-5-11-17/h13-15H,3-12H2,1-2H3.
What are the key properties of [4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone?
[4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone has a molecular weight of 251.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 6422642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).