7-(aminomethyl)-3,9-dimethyldecan-5-one

C13H27NO — CID 116576821

IUPAC7-(aminomethyl)-3,9-dimethyldecan-5-one
SMILESCCC(C)CC(=O)CC(CN)CC(C)C
InChIInChI=1S/C13H27NO/c1-5-11(4)7-13(15)8-12(9-14)6-10(2)3/h10-12H,5-9,14H2,1-4H3
InChIKeyNCVDHAKPRPJERF-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.00
Rot. Bonds8

About 7-(aminomethyl)-3,9-dimethyldecan-5-one

7-(aminomethyl)-3,9-dimethyldecan-5-one (PubChem CID 116576821) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 7-(aminomethyl)-3,9-dimethyldecan-5-one.

Molecular Properties

Compound Name7-(aminomethyl)-3,9-dimethyldecan-5-one
PubChem CID116576821
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name7-(aminomethyl)-3,9-dimethyldecan-5-one
SMILESCCC(C)CC(=O)CC(CN)CC(C)C
InChIInChI=1S/C13H27NO/c1-5-11(4)7-13(15)8-12(9-14)6-10(2)3/h10-12H,5-9,14H2,1-4H3
InChIKeyNCVDHAKPRPJERF-UHFFFAOYSA-N
XLogP3.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide
CID 79469974
3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
CID 25143769
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
(4R)-4-(aminomethyl)-2-methyldodecan-6-one
CID 126693960
4-(aminomethyl)-2,7-dimethylnonan-5-one
CID 116597857
4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one
CID 116576928
potassium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 172995124
sodium;(3S)-3-(aminomethyl)-5-methylhexanoic acid;hydride
CID 173084628
4-(aminomethyl)-1-(5-ethylthiophen-2-yl)-6-methylheptan-2-one
CID 116577024
6-(aminomethyl)-1,1,1-trifluoro-8-methylnonan-4-one
CID 116577005
2,6-dimethylheptan-4-one;5-methylheptan-3-one
CID 162014497
2-methylpentyl (3S)-3-(aminomethyl)-5-methylhexanoate
CID 103284167

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-3,9-dimethyldecan-5-one?
The IUPAC name of 7-(aminomethyl)-3,9-dimethyldecan-5-one (CID 116576821) is 7-(aminomethyl)-3,9-dimethyldecan-5-one.
What is the SMILES notation for 7-(aminomethyl)-3,9-dimethyldecan-5-one?
The canonical SMILES for 7-(aminomethyl)-3,9-dimethyldecan-5-one is CCC(C)CC(=O)CC(CN)CC(C)C.
What is the InChIKey of 7-(aminomethyl)-3,9-dimethyldecan-5-one?
The InChIKey is NCVDHAKPRPJERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-11(4)7-13(15)8-12(9-14)6-10(2)3/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 7-(aminomethyl)-3,9-dimethyldecan-5-one?
7-(aminomethyl)-3,9-dimethyldecan-5-one has a molecular weight of 213.36 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-3,9-dimethyldecan-5-one is sourced from PubChem (CID 116576821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).