(1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone

C13H23NO — CID 116598551

IUPAC(1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone
SMILESCC1CC(C)CC(C(=O)C2(N)CCC2)C1
InChIInChI=1S/C13H23NO/c1-9-6-10(2)8-11(7-9)12(15)13(14)4-3-5-13/h9-11H,3-8,14H2,1-2H3
InChIKeyDCDAERINVPSEGI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.51
Rot. Bonds2

About (1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone

(1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone (PubChem CID 116598551) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone
PubChem CID116598551
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone
SMILESCC1CC(C)CC(C(=O)C2(N)CCC2)C1
InChIInChI=1S/C13H23NO/c1-9-6-10(2)8-11(7-9)12(15)13(14)4-3-5-13/h9-11H,3-8,14H2,1-2H3
InChIKeyDCDAERINVPSEGI-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone
CID 116579260
(1-aminocycloheptyl)-cyclopropylmethanone
CID 82408131
[1-(dimethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone
CID 79067139
[4-(aminomethyl)oxan-4-yl]-(3,5-dimethylcyclohexyl)methanone
CID 116603187
(1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone
CID 116579223
[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone
CID 79069711
(3-aminooxolan-3-yl)-(3-methylcyclohexyl)methanone
CID 116579553
(3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone
CID 131000783
(1-amino-3-methylcyclohexyl)-(oxan-4-yl)methanone
CID 116579256
1-amino-N-(3,5-dimethylcyclohexyl)cyclopropane-1-carboxamide
CID 65458422
(3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone
CID 79059527
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone?
The IUPAC name of (1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone (CID 116598551) is (1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone.
What is the SMILES notation for (1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone?
The canonical SMILES for (1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone is CC1CC(C)CC(C(=O)C2(N)CCC2)C1.
What is the InChIKey of (1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone?
The InChIKey is DCDAERINVPSEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-6-10(2)8-11(7-9)12(15)13(14)4-3-5-13/h9-11H,3-8,14H2,1-2H3.
What are the key properties of (1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone?
(1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone has a molecular weight of 209.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone is sourced from PubChem (CID 116598551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).