4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one

C15H29NO — CID 116576928

IUPAC4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one
SMILESCC(C)CC(CN)CC(=O)CC1CCCCC1
InChIInChI=1S/C15H29NO/c1-12(2)8-14(11-16)10-15(17)9-13-6-4-3-5-7-13/h12-14H,3-11,16H2,1-2H3
InChIKeyUXJJXRDRBDHPQN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.54
Rot. Bonds7

About 4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one

4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one (PubChem CID 116576928) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one
PubChem CID116576928
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one
SMILESCC(C)CC(CN)CC(=O)CC1CCCCC1
InChIInChI=1S/C15H29NO/c1-12(2)8-14(11-16)10-15(17)9-13-6-4-3-5-7-13/h12-14H,3-11,16H2,1-2H3
InChIKeyUXJJXRDRBDHPQN-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one
CID 116577015
4-amino-1-cyclohexyl-5-methylhexan-2-one
CID 116606337
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625
7-(aminomethyl)-3,9-dimethyldecan-5-one
CID 116576821
(3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid
CID 56994800
(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide
CID 104873493
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376
3-(aminomethyl)-5-methyl-1-(oxolan-3-yl)hexan-1-one
CID 116576825
N-(2-amino-1-cyclopropylethyl)-2-cyclopentyl-N-methylacetamide
CID 116651718
2-(oxan-2-yl)ethyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 126820190

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one?
The IUPAC name of 4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one (CID 116576928) is 4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one?
The canonical SMILES for 4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one is CC(C)CC(CN)CC(=O)CC1CCCCC1.
What is the InChIKey of 4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one?
The InChIKey is UXJJXRDRBDHPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)8-14(11-16)10-15(17)9-13-6-4-3-5-7-13/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one?
4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one has a molecular weight of 239.40 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one is sourced from PubChem (CID 116576928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).