[1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone

C13H23NO — CID 116601132

IUPAC[1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)C2(CN)CC2)C1
InChIInChI=1S/C13H23NO/c1-2-10-4-3-5-11(8-10)12(15)13(9-14)6-7-13/h10-11H,2-9,14H2,1H3
InChIKeyRECSPTDALGSDGC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.51
Rot. Bonds4

About [1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone

[1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone (PubChem CID 116601132) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone
PubChem CID116601132
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)C2(CN)CC2)C1
InChIInChI=1S/C13H23NO/c1-2-10-4-3-5-11(8-10)12(15)13(9-14)6-7-13/h10-11H,2-9,14H2,1H3
InChIKeyRECSPTDALGSDGC-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114976433
[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone
CID 116600979
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
[1-(aminomethyl)cyclobutyl]-cyclopentylmethanone
CID 116600201
(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569887
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone
CID 116602976
1-(3-ethylcyclohexyl)ethanethione
CID 175971098
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180
(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167112853

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone (CID 116601132) is [1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone is CCC1CCCC(C(=O)C2(CN)CC2)C1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone?
The InChIKey is RECSPTDALGSDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-10-4-3-5-11(8-10)12(15)13(9-14)6-7-13/h10-11H,2-9,14H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone?
[1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone has a molecular weight of 209.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone is sourced from PubChem (CID 116601132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).