(3R)-N,N,3-trimethylhexanamide

C9H19NO — CID 170848594

IUPAC(3R)-N,N,3-trimethylhexanamide
SMILESCCC[C@@H](C)CC(=O)N(C)C
InChIInChI=1S/C9H19NO/c1-5-6-8(2)7-9(11)10(3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyMOULBLFNCXLFGK-MRVPVSSYSA-N
MW157.26 g/mol
LogP1.90
Rot. Bonds4

About (3R)-N,N,3-trimethylhexanamide

(3R)-N,N,3-trimethylhexanamide (PubChem CID 170848594) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3R)-N,N,3-trimethylhexanamide.

Molecular Properties

Compound Name(3R)-N,N,3-trimethylhexanamide
PubChem CID170848594
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3R)-N,N,3-trimethylhexanamide
SMILESCCC[C@@H](C)CC(=O)N(C)C
InChIInChI=1S/C9H19NO/c1-5-6-8(2)7-9(11)10(3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyMOULBLFNCXLFGK-MRVPVSSYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[methyl-[(3R)-3-methylhexanoyl]amino]propanoic acid
CID 97233974
ethane;4-methylheptan-2-one
CID 142986053
3-methylhexanoate
CID 22322574
N,N-dimethyl-3-(2-methylpentylamino)propanamide
CID 60926846
5-(dimethylamino)-N,N,3-trimethyl-5-sulfanylidenepentanamide
CID 12500633
5-methyloctane-2,3-dione
CID 20560355
N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
CID 28569844
1,1-difluoro-4-methylheptan-2-one
CID 112574315
(6R)-6-methylnonane-2,4-dione
CID 98210989
ethyl 3-[methyl(2-methylpentyl)amino]propanoate
CID 62265391
9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide
CID 139473673
N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide
CID 166236777

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N,3-trimethylhexanamide?
The IUPAC name of (3R)-N,N,3-trimethylhexanamide (CID 170848594) is (3R)-N,N,3-trimethylhexanamide.
What is the SMILES notation for (3R)-N,N,3-trimethylhexanamide?
The canonical SMILES for (3R)-N,N,3-trimethylhexanamide is CCC[C@@H](C)CC(=O)N(C)C.
What is the InChIKey of (3R)-N,N,3-trimethylhexanamide?
The InChIKey is MOULBLFNCXLFGK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-8(2)7-9(11)10(3)4/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of (3R)-N,N,3-trimethylhexanamide?
(3R)-N,N,3-trimethylhexanamide has a molecular weight of 157.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N,3-trimethylhexanamide is sourced from PubChem (CID 170848594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).