1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one

C14H27NO — CID 116614308

IUPAC1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one
SMILESCCC(C)CC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H27NO/c1-3-12(2)9-13(16)10-14(11-15)7-5-4-6-8-14/h12H,3-11,15H2,1-2H3
InChIKeyBASSCUZQLKRENM-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.29
Rot. Bonds6

About 1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one

1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one (PubChem CID 116614308) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one
PubChem CID116614308
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one
SMILESCCC(C)CC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H27NO/c1-3-12(2)9-13(16)10-14(11-15)7-5-4-6-8-14/h12H,3-11,15H2,1-2H3
InChIKeyBASSCUZQLKRENM-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-(aminomethyl)cyclohexyl]-3-ethoxypropan-2-one
CID 116614286
1-[1-(aminomethyl)cyclohexyl]-3-methylpentan-1-one
CID 116600566
1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one
CID 116614510
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-propan-2-ylacetamide
CID 113440138
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
CID 104677371
2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 104844601
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methylpentanoic acid
CID 104677924
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 104677794
(2S)-2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoic acid
CID 113342137
2-[1-(aminomethyl)cyclohexyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 113440190
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one (CID 116614308) is 1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one is CCC(C)CC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one?
The InChIKey is BASSCUZQLKRENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-12(2)9-13(16)10-14(11-15)7-5-4-6-8-14/h12H,3-11,15H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one?
1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-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]-4-methylhexan-2-one is sourced from PubChem (CID 116614308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).