N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide

C13H28N2O — CID 60765757

IUPACN,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide
SMILESCC(C)CCCC(C)NCCC(=O)N(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)7-6-8-12(3)14-10-9-13(16)15(4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyYNMFCISDIFXRGG-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds8

About N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide

N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide (PubChem CID 60765757) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide
PubChem CID60765757
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide
SMILESCC(C)CCCC(C)NCCC(=O)N(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)7-6-8-12(3)14-10-9-13(16)15(4)5/h11-12,14H,6-10H2,1-5H3
InChIKeyYNMFCISDIFXRGG-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-6-methyl-N-(3-methylbutyl)heptan-2-amine
CID 38989018
N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide
CID 115715320
2-(6-methylheptan-2-ylamino)ethanol
CID 61469768
N,N-diethyl-3-(hexan-2-ylamino)propanamide
CID 60926870
N,N-dimethyl-3-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]propanamide
CID 111942467
methane;N,N,4-trimethylpentanamide
CID 160907901
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid
CID 83195023
2-methyl-6-(4-methylpentylamino)heptanoic acid
CID 83157356
N,N-dimethyl-3-(3-methylpentan-2-ylamino)propanamide
CID 60925489
N,N-dimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 63011400
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
3-(5-methylhexan-2-ylamino)propanamide
CID 43398450

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide?
The IUPAC name of N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide (CID 60765757) is N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide is CC(C)CCCC(C)NCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide?
The InChIKey is YNMFCISDIFXRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)7-6-8-12(3)14-10-9-13(16)15(4)5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide?
N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide is sourced from PubChem (CID 60765757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).