1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one

C14H27NO — CID 116600664

IUPAC1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one
SMILESCC(C)CCCC(=O)C1(CN)CCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(16)14(11-15)9-4-3-5-10-14/h12H,3-11,15H2,1-2H3
InChIKeyMQAQGFBIOJPUJQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.29
Rot. Bonds6

About 1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one

1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one (PubChem CID 116600664) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one
PubChem CID116600664
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one
SMILESCC(C)CCCC(=O)C1(CN)CCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)7-6-8-13(16)14(11-15)9-4-3-5-10-14/h12H,3-11,15H2,1-2H3
InChIKeyMQAQGFBIOJPUJQ-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxycyclohexyl)-5-methylhexan-1-one
CID 103449709
1-[1-(aminomethyl)cyclohexyl]decan-1-one
CID 116600522
1-[1-(aminomethyl)cycloheptyl]-4-ethylsulfonylbutan-1-one
CID 116602128
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
1-(1-methoxycyclohexyl)-5-methylhexan-1-one
CID 116748157
1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one
CID 116600566
1-[1-(aminomethyl)cyclobutyl]butan-1-one
CID 116600255
1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810
1-[1-(aminomethyl)cyclobutyl]-4-ethylsulfonylbutan-1-one
CID 116600352
1-(1-aminocyclohexyl)-6-methylheptan-2-one
CID 116579027
1-[1-(aminomethyl)cyclohexyl]-2-ethoxyethanone
CID 116600542

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one (CID 116600664) is 1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one is CC(C)CCCC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one?
The InChIKey is MQAQGFBIOJPUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)7-6-8-13(16)14(11-15)9-4-3-5-10-14/h12H,3-11,15H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one?
1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-5-methylhexan-1-one is sourced from PubChem (CID 116600664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).