3-(methylamino)-N-octan-4-ylpropanamide

C12H26N2O — CID 106025922

IUPAC3-(methylamino)-N-octan-4-ylpropanamide
SMILESCCCCC(CCC)NC(=O)CCNC
InChIInChI=1S/C12H26N2O/c1-4-6-8-11(7-5-2)14-12(15)9-10-13-3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyNLUNDEDXIJQQLX-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.07
Rot. Bonds9

About 3-(methylamino)-N-octan-4-ylpropanamide

3-(methylamino)-N-octan-4-ylpropanamide (PubChem CID 106025922) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(methylamino)-N-octan-4-ylpropanamide.

Molecular Properties

Compound Name3-(methylamino)-N-octan-4-ylpropanamide
PubChem CID106025922
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(methylamino)-N-octan-4-ylpropanamide
SMILESCCCCC(CCC)NC(=O)CCNC
InChIInChI=1S/C12H26N2O/c1-4-6-8-11(7-5-2)14-12(15)9-10-13-3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyNLUNDEDXIJQQLX-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-octan-4-ylpentanamide
CID 91803774
4-hydroxy-N-octan-4-ylbutanamide
CID 106022325
2-(methylamino)-N-octan-4-ylacetamide;hydrochloride
CID 119816540
4-chloro-N-octan-4-ylbutanamide
CID 106019308
3-(octan-4-ylcarbamoylamino)propanoic acid
CID 106020663
N-methyl-2-[3-(methylamino)propanoylamino]pentanamide;hydrochloride
CID 155820102
3-(ethylamino)-N-hexan-3-ylpropanamide
CID 62836879
6-(octan-4-ylcarbamoylamino)hexanoic acid
CID 106020478
1-heptan-4-yl-3-pentylurea
CID 123857321
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
2-[1-(methylamino)cyclohexyl]-N-octan-4-ylacetamide
CID 106025932
N-butyl-2-(octan-4-ylamino)acetamide
CID 106024887

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-octan-4-ylpropanamide?
The IUPAC name of 3-(methylamino)-N-octan-4-ylpropanamide (CID 106025922) is 3-(methylamino)-N-octan-4-ylpropanamide.
What is the SMILES notation for 3-(methylamino)-N-octan-4-ylpropanamide?
The canonical SMILES for 3-(methylamino)-N-octan-4-ylpropanamide is CCCCC(CCC)NC(=O)CCNC.
What is the InChIKey of 3-(methylamino)-N-octan-4-ylpropanamide?
The InChIKey is NLUNDEDXIJQQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-8-11(7-5-2)14-12(15)9-10-13-3/h11,13H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 3-(methylamino)-N-octan-4-ylpropanamide?
3-(methylamino)-N-octan-4-ylpropanamide has a molecular weight of 214.35 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-octan-4-ylpropanamide is sourced from PubChem (CID 106025922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).