methane;N,N,4-trimethylpentanamide

C9H21NO — CID 160907901

IUPACmethane;N,N,4-trimethylpentanamide
SMILESC.CC(C)CCC(=O)N(C)C
InChIInChI=1S/C8H17NO.CH4/c1-7(2)5-6-8(10)9(3)4;/h7H,5-6H2,1-4H3;1H4
InChIKeySQJQEZFTSXTLBA-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.15
Rot. Bonds3

About methane;N,N,4-trimethylpentanamide

methane;N,N,4-trimethylpentanamide (PubChem CID 160907901) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is methane;N,N,4-trimethylpentanamide.

Molecular Properties

Compound Namemethane;N,N,4-trimethylpentanamide
PubChem CID160907901
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Namemethane;N,N,4-trimethylpentanamide
SMILESC.CC(C)CCC(=O)N(C)C
InChIInChI=1S/C8H17NO.CH4/c1-7(2)5-6-8(10)9(3)4;/h7H,5-6H2,1-4H3;1H4
InChIKeySQJQEZFTSXTLBA-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide
CID 60765757
N-(4-aminobutan-2-yl)-N,4-dimethylpentanamide
CID 63225605
N,8-dimethyl-N-propan-2-ylnonanamide
CID 170241265
N,9-dimethyl-N-propan-2-yldecanamide
CID 170241261
5-(dimethylamino)-2-methyl-5-oxopentanoic acid;methyl 5-(dimethylamino)-2-methyl-5-oxopentanoate
CID 175356213
N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide
CID 111942467
4-(aminomethyl)-N,N-dimethylheptanamide
CID 112515140
[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate
CID 134364570
N,5-dimethyl-N-(2-methylpropyl)hexanamide
CID 147805766
N,N,5-trimethyl-4-oxoheptanamide
CID 88975124
N,N-dimethylbutanamide;hydrochloride
CID 87498306
2,8,9-trimethyldecan-5-one
CID 162772851

Frequently Asked Questions

What is the IUPAC name of methane;N,N,4-trimethylpentanamide?
The IUPAC name of methane;N,N,4-trimethylpentanamide (CID 160907901) is methane;N,N,4-trimethylpentanamide.
What is the SMILES notation for methane;N,N,4-trimethylpentanamide?
The canonical SMILES for methane;N,N,4-trimethylpentanamide is C.CC(C)CCC(=O)N(C)C.
What is the InChIKey of methane;N,N,4-trimethylpentanamide?
The InChIKey is SQJQEZFTSXTLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.CH4/c1-7(2)5-6-8(10)9(3)4;/h7H,5-6H2,1-4H3;1H4.
What are the key properties of methane;N,N,4-trimethylpentanamide?
methane;N,N,4-trimethylpentanamide has a molecular weight of 159.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N,N,4-trimethylpentanamide is sourced from PubChem (CID 160907901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).