N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide

C12H26N2O2 — CID 144997349

IUPACN-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide
SMILESCC(C)CCC(=O)NC(C)C=O.CCNC
InChIInChI=1S/C9H17NO2.C3H9N/c1-7(2)4-5-9(12)10-8(3)6-11;1-3-4-2/h6-8H,4-5H2,1-3H3,(H,10,12);4H,3H2,1-2H3
InChIKeyDQUYSRILNOEQON-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.35
Rot. Bonds6

About N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide

N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide (PubChem CID 144997349) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide.

Molecular Properties

Compound NameN-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide
PubChem CID144997349
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide
SMILESCC(C)CCC(=O)NC(C)C=O.CCNC
InChIInChI=1S/C9H17NO2.C3H9N/c1-7(2)4-5-9(12)10-8(3)6-11;1-3-4-2/h6-8H,4-5H2,1-3H3,(H,10,12);4H,3H2,1-2H3
InChIKeyDQUYSRILNOEQON-UHFFFAOYSA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
CID 22152590
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-N'-[(2S)-1-oxopropan-2-yl]pentanediamide
CID 173443479
16-methyl-N-[1-(16-methylheptadecanoylamino)propyl]heptadecanamide
CID 173047475
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 129136562
2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine
CID 178090758
N-(6-methylheptan-2-yl)butanamide
CID 60644759
2-cyclopropyl-N-[(2S)-1-oxopropan-2-yl]acetamide
CID 174392631
1-(ethylamino)-5-methylhexan-2-one
CID 116562437
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
CID 88911666
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
N-(1-chlorobutan-2-yl)-4-methylpentanamide
CID 114294455
N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
CID 18431763

Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide?
The IUPAC name of N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide (CID 144997349) is N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide.
What is the SMILES notation for N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide?
The canonical SMILES for N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide is CC(C)CCC(=O)NC(C)C=O.CCNC.
What is the InChIKey of N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide?
The InChIKey is DQUYSRILNOEQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C3H9N/c1-7(2)4-5-9(12)10-8(3)6-11;1-3-4-2/h6-8H,4-5H2,1-3H3,(H,10,12);4H,3H2,1-2H3.
What are the key properties of N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide?
N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;4-methyl-N-(1-oxopropan-2-yl)pentanamide is sourced from PubChem (CID 144997349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).