[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone

C14H26N2O — CID 62806035

IUPAC[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H26N2O/c1-2-13-4-3-9-16(13)14(17)12-7-5-11(10-15)6-8-12/h11-13H,2-10,15H2,1H3
InChIKeyCAQOSWQKACLICD-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds3

About [4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone

[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 62806035) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID62806035
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C14H26N2O/c1-2-13-4-3-9-16(13)14(17)12-7-5-11(10-15)6-8-12/h11-13H,2-10,15H2,1H3
InChIKeyCAQOSWQKACLICD-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 104963820
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
N-tert-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149554
[3-(2-aminoethyl)cyclohexyl]-(2-ethylazepan-1-yl)methanone
CID 104692568
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone (CID 62806035) is [4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)C1CCC(CN)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is CAQOSWQKACLICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-13-4-3-9-16(13)14(17)12-7-5-11(10-15)6-8-12/h11-13H,2-10,15H2,1H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62806035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).