2-methyl-4-(propan-2-ylamino)hexan-3-one

C10H21NO — CID 59335291

IUPAC2-methyl-4-(propan-2-ylamino)hexan-3-one
SMILESCCC(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C10H21NO/c1-6-9(11-8(4)5)10(12)7(2)3/h7-9,11H,6H2,1-5H3
InChIKeyOWPZBYXZKFRSMQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds5

About 2-methyl-4-(propan-2-ylamino)hexan-3-one

2-methyl-4-(propan-2-ylamino)hexan-3-one (PubChem CID 59335291) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-4-(propan-2-ylamino)hexan-3-one.

Molecular Properties

Compound Name2-methyl-4-(propan-2-ylamino)hexan-3-one
PubChem CID59335291
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-4-(propan-2-ylamino)hexan-3-one
SMILESCCC(NC(C)C)C(=O)C(C)C
InChIInChI=1S/C10H21NO/c1-6-9(11-8(4)5)10(12)7(2)3/h7-9,11H,6H2,1-5H3
InChIKeyOWPZBYXZKFRSMQ-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one
CID 58177865
2,6-dimethyl-4-(propan-2-ylamino)heptan-3-one
CID 18739782
2-methyl-6-[4-methyl-3-oxo-2-(propan-2-ylamino)pentyl]sulfanyl-4-(propan-2-ylamino)hexan-3-one
CID 153483295
2-methylpropyl (3S)-5-methyl-4-oxo-3-(propan-2-ylamino)hexanoate
CID 126570715
2-methyl-4-(propan-2-ylamino)-8-(sulfanylamino)octan-3-one
CID 146513972
2-methyl-8-(methylamino)-4-(propan-2-ylamino)octan-3-one
CID 139435461
1-iodo-3-methyl-1-(propan-2-ylamino)pentan-2-one
CID 166808604
N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]butanamide
CID 59260631
butyl 2-(propan-2-ylamino)butanoate
CID 59000489
4-methyl-1-nitrososulfanyl-2-(propan-2-ylamino)pentan-3-one;4-methyl-2-(propan-2-ylamino)-1-sulfanylpentan-3-one
CID 160866076
4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one
CID 59838371
3-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 61317910

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(propan-2-ylamino)hexan-3-one?
The IUPAC name of 2-methyl-4-(propan-2-ylamino)hexan-3-one (CID 59335291) is 2-methyl-4-(propan-2-ylamino)hexan-3-one.
What is the SMILES notation for 2-methyl-4-(propan-2-ylamino)hexan-3-one?
The canonical SMILES for 2-methyl-4-(propan-2-ylamino)hexan-3-one is CCC(NC(C)C)C(=O)C(C)C.
What is the InChIKey of 2-methyl-4-(propan-2-ylamino)hexan-3-one?
The InChIKey is OWPZBYXZKFRSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-9(11-8(4)5)10(12)7(2)3/h7-9,11H,6H2,1-5H3.
What are the key properties of 2-methyl-4-(propan-2-ylamino)hexan-3-one?
2-methyl-4-(propan-2-ylamino)hexan-3-one has a molecular weight of 171.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(propan-2-ylamino)hexan-3-one is sourced from PubChem (CID 59335291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).