6-(2-aminoethylamino)-2-methylidenehexanoic acid

C9H18N2O2 — CID 18955824

IUPAC6-(2-aminoethylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCNCCN)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-8(9(12)13)4-2-3-6-11-7-5-10/h11H,1-7,10H2,(H,12,13)
InChIKeyUOKWUWJYFDBHSR-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.35
Rot. Bonds8

About 6-(2-aminoethylamino)-2-methylidenehexanoic acid

6-(2-aminoethylamino)-2-methylidenehexanoic acid (PubChem CID 18955824) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-2-methylidenehexanoic acid.

Molecular Properties

Compound Name6-(2-aminoethylamino)-2-methylidenehexanoic acid
PubChem CID18955824
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name6-(2-aminoethylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCNCCN)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-8(9(12)13)4-2-3-6-11-7-5-10/h11H,1-7,10H2,(H,12,13)
InChIKeyUOKWUWJYFDBHSR-UHFFFAOYSA-N
XLogP0.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N'-(2-aminoethyl)ethane-1,2-diamine;6-aminohexanoic acid;2-methylidenebutanedioic acid
CID 6455662
7-(Tert-butylamino)-2-methylideneheptanoic acid
CID 19032226
7-(Hexylamino)-2-methylideneheptanoic acid
CID 20156796
5-(Butylamino)-2-methylidenepentanoic acid
CID 22247064
2-Methylidene-6-(propylamino)hexanoic acid
CID 22266622
2-Methylidene-5-(propylamino)pentanoic acid
CID 22266625
2-Methylidene-5-piperazin-1-ylpentanoic acid
CID 22378125
6-(Ethylamino)-2-methylidenehexanoic acid
CID 22731125
2-Methylidene-6-(propan-2-ylamino)hexanoic acid
CID 23065082
6-(Tert-butylamino)-2-methylidenehexanoic acid
CID 23505129
6-(Butylamino)-2-methylidene-6-oxohexanoic acid
CID 53803412
8-(Methylamino)-2-methylideneoctanoic acid
CID 53878510

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-2-methylidenehexanoic acid?
The IUPAC name of 6-(2-aminoethylamino)-2-methylidenehexanoic acid (CID 18955824) is 6-(2-aminoethylamino)-2-methylidenehexanoic acid.
What is the SMILES notation for 6-(2-aminoethylamino)-2-methylidenehexanoic acid?
The canonical SMILES for 6-(2-aminoethylamino)-2-methylidenehexanoic acid is C=C(CCCCNCCN)C(=O)O.
What is the InChIKey of 6-(2-aminoethylamino)-2-methylidenehexanoic acid?
The InChIKey is UOKWUWJYFDBHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(9(12)13)4-2-3-6-11-7-5-10/h11H,1-7,10H2,(H,12,13).
What are the key properties of 6-(2-aminoethylamino)-2-methylidenehexanoic acid?
6-(2-aminoethylamino)-2-methylidenehexanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-2-methylidenehexanoic acid is sourced from PubChem (CID 18955824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).