3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one

C15H29NO — CID 116577015

IUPAC3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one
SMILESCC(C)CC(CN)CC(=O)C1CCCCCC1
InChIInChI=1S/C15H29NO/c1-12(2)9-13(11-16)10-15(17)14-7-5-3-4-6-8-14/h12-14H,3-11,16H2,1-2H3
InChIKeyIVDNSRNFHQAVFJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.54
Rot. Bonds6

About 3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one

3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one (PubChem CID 116577015) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one
PubChem CID116577015
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one
SMILESCC(C)CC(CN)CC(=O)C1CCCCCC1
InChIInChI=1S/C15H29NO/c1-12(2)9-13(11-16)10-15(17)14-7-5-3-4-6-8-14/h12-14H,3-11,16H2,1-2H3
InChIKeyIVDNSRNFHQAVFJ-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-cyclohexylpentan-1-one
CID 116596160
3-(aminomethyl)-5-methyl-1-(oxolan-3-yl)hexan-1-one
CID 116576825
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one
CID 116576928
(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide
CID 104873493
(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide
CID 79878962
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625
3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide
CID 79878870
sodium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 173084628

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one?
The IUPAC name of 3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one (CID 116577015) is 3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one is CC(C)CC(CN)CC(=O)C1CCCCCC1.
What is the InChIKey of 3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one?
The InChIKey is IVDNSRNFHQAVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)9-13(11-16)10-15(17)14-7-5-3-4-6-8-14/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one?
3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one is sourced from PubChem (CID 116577015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).