2-methyl-N-propan-2-ylhexanamide

C10H21NO — CID 19752015

IUPAC2-methyl-N-propan-2-ylhexanamide
SMILESCCCCC(C)C(=O)NC(C)C
InChIInChI=1S/C10H21NO/c1-5-6-7-9(4)10(12)11-8(2)3/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyDQOFOXYQYNKVOZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds5

About 2-methyl-N-propan-2-ylhexanamide

2-methyl-N-propan-2-ylhexanamide (PubChem CID 19752015) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylhexanamide
PubChem CID19752015
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-N-propan-2-ylhexanamide
SMILESCCCCC(C)C(=O)NC(C)C
InChIInChI=1S/C10H21NO/c1-5-6-7-9(4)10(12)11-8(2)3/h8-9H,5-7H2,1-4H3,(H,11,12)
InChIKeyDQOFOXYQYNKVOZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-propan-2-ylpentanamide
CID 4628268
N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
CID 154697432
2-tert-butyl-N-propan-2-ylhexanamide
CID 21366386
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
5-amino-2-methyl-N-octan-4-ylpentanamide
CID 106025739
(2S)-2-[[(2R)-2-methylhexanoyl]amino]pent-4-enoic acid
CID 87460969
2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide
CID 58871564
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
methyl (2S)-2-(2-methylhexanoylamino)pent-4-enoate
CID 87461138
(2S)-3-methyl-2-(2-methylundecanoylamino)butanoic acid
CID 89211028
sodium (2S)-2-(2-methylundecanoylamino)propanoate
CID 140600022
2-(2-methylbutanoylamino)heptanoic acid
CID 115910245

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylhexanamide?
The IUPAC name of 2-methyl-N-propan-2-ylhexanamide (CID 19752015) is 2-methyl-N-propan-2-ylhexanamide.
What is the SMILES notation for 2-methyl-N-propan-2-ylhexanamide?
The canonical SMILES for 2-methyl-N-propan-2-ylhexanamide is CCCCC(C)C(=O)NC(C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylhexanamide?
The InChIKey is DQOFOXYQYNKVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-7-9(4)10(12)11-8(2)3/h8-9H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 2-methyl-N-propan-2-ylhexanamide?
2-methyl-N-propan-2-ylhexanamide has a molecular weight of 171.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylhexanamide is sourced from PubChem (CID 19752015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).