N-methyl-3-(4-methylhexan-2-ylamino)butanamide

C12H26N2O — CID 115892025

IUPACN-methyl-3-(4-methylhexan-2-ylamino)butanamide
SMILESCCC(C)CC(C)NC(C)CC(=O)NC
InChIInChI=1S/C12H26N2O/c1-6-9(2)7-10(3)14-11(4)8-12(15)13-5/h9-11,14H,6-8H2,1-5H3,(H,13,15)
InChIKeyJACREUACAMLZEF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds7

About N-methyl-3-(4-methylhexan-2-ylamino)butanamide

N-methyl-3-(4-methylhexan-2-ylamino)butanamide (PubChem CID 115892025) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-3-(4-methylhexan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylhexan-2-ylamino)butanamide
PubChem CID115892025
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-3-(4-methylhexan-2-ylamino)butanamide
SMILESCCC(C)CC(C)NC(C)CC(=O)NC
InChIInChI=1S/C12H26N2O/c1-6-9(2)7-10(3)14-11(4)8-12(15)13-5/h9-11,14H,6-8H2,1-5H3,(H,13,15)
InChIKeyJACREUACAMLZEF-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(4-methylhexan-2-ylamino)butanoate
CID 115353461
(3R)-3-acetamido-N-methylbutanamide
CID 87931486
ethane;3-ethyl-N,5-dimethylhexanamide
CID 177048526
N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide
CID 115896542
(3S)-3-acetamido-N-[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-(methylamino)-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]butanamide
CID 101104049
ethane;3-hydroxy-N,5-dimethylhexanamide;vanadium
CID 177155626
4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine
CID 115892026
3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide
CID 115920289
N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide
CID 112695628
(2R,4S)-4-methyl-2-(methylamino)hexanoic acid
CID 59874884
3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide
CID 115894341
3-[2-(2-hydroxyethyl)pentylamino]-N-methylbutanamide
CID 115725383

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylhexan-2-ylamino)butanamide?
The IUPAC name of N-methyl-3-(4-methylhexan-2-ylamino)butanamide (CID 115892025) is N-methyl-3-(4-methylhexan-2-ylamino)butanamide.
What is the SMILES notation for N-methyl-3-(4-methylhexan-2-ylamino)butanamide?
The canonical SMILES for N-methyl-3-(4-methylhexan-2-ylamino)butanamide is CCC(C)CC(C)NC(C)CC(=O)NC.
What is the InChIKey of N-methyl-3-(4-methylhexan-2-ylamino)butanamide?
The InChIKey is JACREUACAMLZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-9(2)7-10(3)14-11(4)8-12(15)13-5/h9-11,14H,6-8H2,1-5H3,(H,13,15).
What are the key properties of N-methyl-3-(4-methylhexan-2-ylamino)butanamide?
N-methyl-3-(4-methylhexan-2-ylamino)butanamide has a molecular weight of 214.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylhexan-2-ylamino)butanamide is sourced from PubChem (CID 115892025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).