2-methylidene-6-(propylamino)hexanoic acid

C10H19NO2 — CID 22266622

IUPAC2-methylidene-6-(propylamino)hexanoic acid
SMILESC=C(CCCCNCCC)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-7-11-8-5-4-6-9(2)10(12)13/h11H,2-8H2,1H3,(H,12,13)
InChIKeyNRPZPJWCMNRTPL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.80
Rot. Bonds8

About 2-methylidene-6-(propylamino)hexanoic acid

2-methylidene-6-(propylamino)hexanoic acid (PubChem CID 22266622) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methylidene-6-(propylamino)hexanoic acid.

Molecular Properties

Compound Name2-methylidene-6-(propylamino)hexanoic acid
PubChem CID22266622
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-methylidene-6-(propylamino)hexanoic acid
SMILESC=C(CCCCNCCC)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-7-11-8-5-4-6-9(2)10(12)13/h11H,2-8H2,1H3,(H,12,13)
InChIKeyNRPZPJWCMNRTPL-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-(butylamino)-2-methylideneheptanoic acid
CID 88729465
6-(ethylamino)-2-methylidenehexanoic acid
CID 22731125
5-(propylamino)pentanoic acid
CID 103691549
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
2-methylidenehexanoic acid;zinc
CID 174824467
5-(3-hydroxypropylamino)-2-methylidenepentanoic acid
CID 87162981
7-(methylamino)-2-methylideneheptanoic acid
CID 118649610
magnesium;hydride;2-methylideneheptanoic acid
CID 174921756
ethane;2-methylidenehexanoic acid
CID 162072915
hexanedioic acid;N-propylpropan-1-amine
CID 88686443
8-methyl-N-propylnon-8-en-1-amine
CID 138599525
5-methylidene-N-propylheptan-1-amine
CID 66039759

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-(propylamino)hexanoic acid?
The IUPAC name of 2-methylidene-6-(propylamino)hexanoic acid (CID 22266622) is 2-methylidene-6-(propylamino)hexanoic acid.
What is the SMILES notation for 2-methylidene-6-(propylamino)hexanoic acid?
The canonical SMILES for 2-methylidene-6-(propylamino)hexanoic acid is C=C(CCCCNCCC)C(=O)O.
What is the InChIKey of 2-methylidene-6-(propylamino)hexanoic acid?
The InChIKey is NRPZPJWCMNRTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-7-11-8-5-4-6-9(2)10(12)13/h11H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-methylidene-6-(propylamino)hexanoic acid?
2-methylidene-6-(propylamino)hexanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-(propylamino)hexanoic acid is sourced from PubChem (CID 22266622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).