(Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane

C10H21N3O2 — CID 157301795

IUPAC(Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane
SMILESC.C/C(N)=N\C/C=C\CC(C)(N)C(=O)O
InChIInChI=1S/C9H17N3O2.CH4/c1-7(10)12-6-4-3-5-9(2,11)8(13)14;/h3-4H,5-6,11H2,1-2H3,(H2,10,12)(H,13,14);1H4/b4-3-;
InChIKeyBBZIUHURJSBIRE-LNKPDPKZSA-N
MW215.30 g/mol
LogP0.75
Rot. Bonds5

About (Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane

(Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane (PubChem CID 157301795) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane.

Molecular Properties

Compound Name(Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane
PubChem CID157301795
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane
SMILESC.C/C(N)=N\C/C=C\CC(C)(N)C(=O)O
InChIInChI=1S/C9H17N3O2.CH4/c1-7(10)12-6-4-3-5-9(2,11)8(13)14;/h3-4H,5-6,11H2,1-2H3,(H2,10,12)(H,13,14);1H4/b4-3-;
InChIKeyBBZIUHURJSBIRE-LNKPDPKZSA-N
XLogP0.75
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2,2-diamino-6-(1-aminoethylideneamino)hex-4-enoic acid;methane
CID 158680059
(E,2R)-2,6-diamino-2-methylhex-4-enoic acid;methane
CID 159405333
(E)-2-amino-7-(1-aminoethylideneamino)-2-methylhept-5-enoate
CID 22314568
(2S)-2-amino-6-(1-aminoethylideneamino)-4,5-difluoro-2-methylhex-4-enoic acid
CID 90740068
(E,2S)-2-amino-6-(1-aminoethylideneamino)-4,5-difluoro-2-methylhex-4-enoic acid
CID 57464321
(2R)-2-amino-2-methyldec-4-enoic acid
CID 87131405
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
(Z,2R)-2-amino-7-(1-aminoethylideneamino)-2,6-dimethylhept-5-enoic acid
CID 147848709
2-amino-3-[2-(1-aminoethylideneamino)ethylsulfinyl]-2-methylpropanoic acid;dihydrochloride
CID 10470504
2-amino-3-[2-(1-aminoethylideneamino)ethylsulfonyl]-2-methylpropanoic acid
CID 10448902
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
(E,2R)-2-amino-7-(1-aminoethylideneamino)-5-fluoro-2,6-dimethylhept-5-enoic acid;dihydrochloride;hydrofluoride
CID 160755401

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane?
The IUPAC name of (Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane (CID 157301795) is (Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane.
What is the SMILES notation for (Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane?
The canonical SMILES for (Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane is C.C/C(N)=N\C/C=C\CC(C)(N)C(=O)O.
What is the InChIKey of (Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane?
The InChIKey is BBZIUHURJSBIRE-LNKPDPKZSA-N. The full InChI is InChI=1S/C9H17N3O2.CH4/c1-7(10)12-6-4-3-5-9(2,11)8(13)14;/h3-4H,5-6,11H2,1-2H3,(H2,10,12)(H,13,14);1H4/b4-3-;.
What are the key properties of (Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane?
(Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane has a molecular weight of 215.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-6-(1-aminoethylideneamino)-2-methylhex-4-enoic acid;methane is sourced from PubChem (CID 157301795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).