1-[1-(aminomethyl)cyclohexyl]decan-1-one

C17H33NO — CID 116600522

IUPAC1-[1-(aminomethyl)cyclohexyl]decan-1-one
SMILESCCCCCCCCCC(=O)C1(CN)CCCCC1
InChIInChI=1S/C17H33NO/c1-2-3-4-5-6-7-9-12-16(19)17(15-18)13-10-8-11-14-17/h2-15,18H2,1H3
InChIKeyGFPRPPKPTGCEGT-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.61
Rot. Bonds10

About 1-[1-(aminomethyl)cyclohexyl]decan-1-one

1-[1-(aminomethyl)cyclohexyl]decan-1-one (PubChem CID 116600522) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]decan-1-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]decan-1-one
PubChem CID116600522
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(aminomethyl)cyclohexyl]decan-1-one
SMILESCCCCCCCCCC(=O)C1(CN)CCCCC1
InChIInChI=1S/C17H33NO/c1-2-3-4-5-6-7-9-12-16(19)17(15-18)13-10-8-11-14-17/h2-15,18H2,1H3
InChIKeyGFPRPPKPTGCEGT-UHFFFAOYSA-N
XLogP4.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethylcyclopentyl)heptan-1-one
CID 114966682
1-[4-(aminomethyl)oxan-4-yl]octan-1-one
CID 116603025
1-[1-(aminomethyl)cycloheptyl]-4-ethylsulfonylbutan-1-one
CID 116602128
1-[1-(aminomethyl)cyclobutyl]butan-1-one
CID 116600255
1-(1-hydroxycyclohexyl)tridecan-1-one
CID 103449729
1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one
CID 116600664
1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810
1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one
CID 116600352
hexyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433864
octyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 113309277
1-(3-propylpiperidin-3-yl)heptan-1-one
CID 116569742
1-(1-aminocyclobutyl)octan-1-one
CID 116598372

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]decan-1-one?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]decan-1-one (CID 116600522) is 1-[1-(aminomethyl)cyclohexyl]decan-1-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]decan-1-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]decan-1-one is CCCCCCCCCC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]decan-1-one?
The InChIKey is GFPRPPKPTGCEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-3-4-5-6-7-9-12-16(19)17(15-18)13-10-8-11-14-17/h2-15,18H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]decan-1-one?
1-[1-(aminomethyl)cyclohexyl]decan-1-one has a molecular weight of 267.46 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]decan-1-one is sourced from PubChem (CID 116600522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).