6-amino-3-methylheptan-2-one

C8H17NO — CID 171808053

IUPAC6-amino-3-methylheptan-2-one
SMILESCC(=O)C(C)CCC(C)N
InChIInChI=1S/C8H17NO/c1-6(8(3)10)4-5-7(2)9/h6-7H,4-5,9H2,1-3H3
InChIKeyJFQWCXIHXSBBQA-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.34
Rot. Bonds4

About 6-amino-3-methylheptan-2-one

6-amino-3-methylheptan-2-one (PubChem CID 171808053) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 6-amino-3-methylheptan-2-one.

Molecular Properties

Compound Name6-amino-3-methylheptan-2-one
PubChem CID171808053
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name6-amino-3-methylheptan-2-one
SMILESCC(=O)C(C)CCC(C)N
InChIInChI=1S/C8H17NO/c1-6(8(3)10)4-5-7(2)9/h6-7H,4-5,9H2,1-3H3
InChIKeyJFQWCXIHXSBBQA-UHFFFAOYSA-N
XLogP1.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-methylhexanamide
CID 71433088
5-methyl-6-oxoheptane-2-sulfonic acid
CID 164944783
(5R)-hexane-2,5-diamine
CID 144618459
5-amino-2-(methylamino)hexanoic acid
CID 139342913
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
(3S)-7-amino-3-methylheptan-2-one;ethane
CID 145493099
(3R)-6-amino-6-hydroxy-3-(methylamino)hexan-2-one
CID 167006096
3-methyloctane-2,7-dione
CID 13063377
(3R)-3-methyloctan-2-one
CID 158725350
(5R)-5-aminohexan-2-ol
CID 144692574
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methylheptan-2-one?
The IUPAC name of 6-amino-3-methylheptan-2-one (CID 171808053) is 6-amino-3-methylheptan-2-one.
What is the SMILES notation for 6-amino-3-methylheptan-2-one?
The canonical SMILES for 6-amino-3-methylheptan-2-one is CC(=O)C(C)CCC(C)N.
What is the InChIKey of 6-amino-3-methylheptan-2-one?
The InChIKey is JFQWCXIHXSBBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(8(3)10)4-5-7(2)9/h6-7H,4-5,9H2,1-3H3.
What are the key properties of 6-amino-3-methylheptan-2-one?
6-amino-3-methylheptan-2-one has a molecular weight of 143.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methylheptan-2-one is sourced from PubChem (CID 171808053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).