7-amino-2,4-dimethylheptan-3-one

C9H19NO — CID 116613359

IUPAC7-amino-2,4-dimethylheptan-3-one
SMILESCC(C)C(=O)C(C)CCCN
InChIInChI=1S/C9H19NO/c1-7(2)9(11)8(3)5-4-6-10/h7-8H,4-6,10H2,1-3H3
InChIKeyKLATXUHJLRVWAT-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.59
Rot. Bonds5

About 7-amino-2,4-dimethylheptan-3-one

7-amino-2,4-dimethylheptan-3-one (PubChem CID 116613359) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 7-amino-2,4-dimethylheptan-3-one.

Molecular Properties

Compound Name7-amino-2,4-dimethylheptan-3-one
PubChem CID116613359
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name7-amino-2,4-dimethylheptan-3-one
SMILESCC(C)C(=O)C(C)CCCN
InChIInChI=1S/C9H19NO/c1-7(2)9(11)8(3)5-4-6-10/h7-8H,4-6,10H2,1-3H3
InChIKeyKLATXUHJLRVWAT-UHFFFAOYSA-N
XLogP1.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyldecan-3-one
CID 79298815
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
6-amino-3-methyl-2-oxohexanoic acid
CID 87328182
(4S)-8-amino-4-(tert-butylamino)-2-methyloctan-3-one
CID 177276653
(4R)-2,4-dimethylheptan-3-one
CID 6999069
4,6-dimethyl-5-methylideneheptan-1-amine
CID 135230946
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
(3S)-7-amino-3-methylheptan-2-one;ethane
CID 145493099
(5R)-1,5-diamino-7-methyltridecan-6-one
CID 129100220
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,4-dimethylheptan-3-one?
The IUPAC name of 7-amino-2,4-dimethylheptan-3-one (CID 116613359) is 7-amino-2,4-dimethylheptan-3-one.
What is the SMILES notation for 7-amino-2,4-dimethylheptan-3-one?
The canonical SMILES for 7-amino-2,4-dimethylheptan-3-one is CC(C)C(=O)C(C)CCCN.
What is the InChIKey of 7-amino-2,4-dimethylheptan-3-one?
The InChIKey is KLATXUHJLRVWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)9(11)8(3)5-4-6-10/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 7-amino-2,4-dimethylheptan-3-one?
7-amino-2,4-dimethylheptan-3-one has a molecular weight of 157.26 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,4-dimethylheptan-3-one is sourced from PubChem (CID 116613359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).