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

C14H25NO — CID 116614510

IUPAC1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one
SMILESC=C(CC)CC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H25NO/c1-3-12(2)9-13(16)10-14(11-15)7-5-4-6-8-14/h2-11,15H2,1H3
InChIKeyLRBITFVVECDJFU-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.21
Rot. Bonds6

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

1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one (PubChem CID 116614510) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one
PubChem CID116614510
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one
SMILESC=C(CC)CC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C14H25NO/c1-3-12(2)9-13(16)10-14(11-15)7-5-4-6-8-14/h2-11,15H2,1H3
InChIKeyLRBITFVVECDJFU-UHFFFAOYSA-N
XLogP3.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-4-methylidenehexan-2-one
CID 116599628
1-[1-(aminomethyl)cyclohexyl]-3-ethoxypropan-2-one
CID 116614286
1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one
CID 116614308
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
CID 104678316
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 113440176
1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one
CID 116599421

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one (CID 116614510) is 1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one is C=C(CC)CC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one?
The InChIKey is LRBITFVVECDJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-12(2)9-13(16)10-14(11-15)7-5-4-6-8-14/h2-11,15H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one?
1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.21, 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-methylidenehexan-2-one is sourced from PubChem (CID 116614510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).