6-amino-2-(1-aminoethylideneamino)hexanoic acid

C8H17N3O2 — CID 18322413

IUPAC6-amino-2-(1-aminoethylideneamino)hexanoic acid
SMILESC/C(N)=N\C(CCCCN)C(=O)O
InChIInChI=1S/C8H17N3O2/c1-6(10)11-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H2,10,11)(H,12,13)
InChIKeyYCIGJHZXSFAYSI-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.05
Rot. Bonds6

About 6-amino-2-(1-aminoethylideneamino)hexanoic acid

6-amino-2-(1-aminoethylideneamino)hexanoic acid (PubChem CID 18322413) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 6-amino-2-(1-aminoethylideneamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(1-aminoethylideneamino)hexanoic acid
PubChem CID18322413
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name6-amino-2-(1-aminoethylideneamino)hexanoic acid
SMILESC/C(N)=N\C(CCCCN)C(=O)O
InChIInChI=1S/C8H17N3O2/c1-6(10)11-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H2,10,11)(H,12,13)
InChIKeyYCIGJHZXSFAYSI-UHFFFAOYSA-N
XLogP-0.05
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-amino-2-(1-aminoethylideneamino)pentanoic acid
CID 87169114
sodium N-[(1R)-5-amino-1-carboxypentyl]prop-2-enimidate
CID 101069143
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
acetic acid;bis(2,6-diaminohexanoic acid);hydrochloride
CID 174780246
2-(11-aminoundecyl)propanedioic acid
CID 87187189
2-(7-aminoheptyl)propanedioic acid
CID 90276909
2-[[amino(dimethylamino)methylidene]amino]heptadecanoic acid
CID 87851656
(2S)-2,6-diaminohexanoic acid;urea
CID 87191156
carbamic acid;(2S)-2,6-diaminohexanoic acid
CID 87706019
7-amino-3-(methylamino)heptan-2-one;ethane
CID 153401274
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
CID 171042672
CID 171042672

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(1-aminoethylideneamino)hexanoic acid?
The IUPAC name of 6-amino-2-(1-aminoethylideneamino)hexanoic acid (CID 18322413) is 6-amino-2-(1-aminoethylideneamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(1-aminoethylideneamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(1-aminoethylideneamino)hexanoic acid is C/C(N)=N\C(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-(1-aminoethylideneamino)hexanoic acid?
The InChIKey is YCIGJHZXSFAYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(10)11-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 6-amino-2-(1-aminoethylideneamino)hexanoic acid?
6-amino-2-(1-aminoethylideneamino)hexanoic acid has a molecular weight of 187.24 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(1-aminoethylideneamino)hexanoic acid is sourced from PubChem (CID 18322413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).