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

C10H21NO — CID 58177865

IUPAC(4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one
SMILESCC[C@H](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/t9-/m0/s1
InChIKeyOWPZBYXZKFRSMQ-VIFPVBQESA-N
MW171.28 g/mol
LogP1.99
Rot. Bonds5

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

(4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one (PubChem CID 58177865) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one.

Molecular Properties

Compound Name(4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one
PubChem CID58177865
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one
SMILESCC[C@H](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/t9-/m0/s1
InChIKeyOWPZBYXZKFRSMQ-VIFPVBQESA-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

2-methyl-4-(propan-2-ylamino)hexan-3-one
CID 59335291
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-methyl-8-(methylamino)-4-(propan-2-ylamino)octan-3-one
CID 139435461
2-methyl-4-(propan-2-ylamino)-8-(sulfanylamino)octan-3-one
CID 146513972
2-methylpropyl (3S)-5-methyl-4-oxo-3-(propan-2-ylamino)hexanoate
CID 126570715
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 (4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one?
The IUPAC name of (4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one (CID 58177865) is (4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one.
What is the SMILES notation for (4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one?
The canonical SMILES for (4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one is CC[C@H](NC(C)C)C(=O)C(C)C.
What is the InChIKey of (4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one?
The InChIKey is OWPZBYXZKFRSMQ-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of (4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one?
(4S)-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 (4S)-2-methyl-4-(propan-2-ylamino)hexan-3-one is sourced from PubChem (CID 58177865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).