(Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride

C10H21Cl2N3O2 — CID 162334607

IUPAC(Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride
SMILESC/C(=C/C(N)C(=O)O)CCC/N=C(\C)N.Cl.Cl
InChIInChI=1S/C10H19N3O2.2ClH/c1-7(6-9(12)10(14)15)4-3-5-13-8(2)11;;/h6,9H,3-5,12H2,1-2H3,(H2,11,13)(H,14,15);2*1H/b7-6-;;
InChIKeyQBNGBFODQMFNLO-AQTVDGORSA-N
MW286.20 g/mol
LogP1.35
Rot. Bonds6

About (Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride

(Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride (PubChem CID 162334607) has the molecular formula C10H21Cl2N3O2 and a molecular weight of 286.20 g/mol. Its IUPAC name is (Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride.

Molecular Properties

Compound Name(Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride
PubChem CID162334607
Molecular FormulaC10H21Cl2N3O2
Molecular Weight286.20 g/mol
Exact Mass285.10
IUPAC Name(Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride
SMILESC/C(=C/C(N)C(=O)O)CCC/N=C(\C)N.Cl.Cl
InChIInChI=1S/C10H19N3O2.2ClH/c1-7(6-9(12)10(14)15)4-3-5-13-8(2)11;;/h6,9H,3-5,12H2,1-2H3,(H2,11,13)(H,14,15);2*1H/b7-6-;;
InChIKeyQBNGBFODQMFNLO-AQTVDGORSA-N
XLogP1.35
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 51.35
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z,2S)-2-amino-7-(1-aminoethylideneamino)hept-3-enoic acid;dihydrochloride
CID 172867749
(E,2R)-2-amino-4-methyl-7-phosphonohept-3-enoic acid
CID 88509040
(E)-2-amino-4-methyl-5-phosphanylpent-3-enoic acid
CID 88508917
(2R)-5-(1-aminoethylideneamino)-2-methylpentanoic acid
CID 90976628
6-(1-aminoethylideneamino)-2-methylhexanoic acid
CID 158122286
(2S,3S)-3-amino-7-(1-aminoethylideneamino)-2-hydroxyheptanoic acid
CID 20638014
(3S)-3-amino-7-(1-aminoethylideneamino)heptanoic acid
CID 57253327
2-amino-7-(1-aminoethylideneamino)-2,3,4-trimethylhept-3-enoic acid
CID 72590955
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
4-(1-aminoethylideneamino)-2-ethylbutanoic acid
CID 145476520
(Z)-2-amino-7-(1-aminoethylideneamino)-3,4-difluoro-2-methylhept-3-enoic acid
CID 59898074
(E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid
CID 59074907

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride?
The IUPAC name of (Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride (CID 162334607) is (Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride.
What is the SMILES notation for (Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride?
The canonical SMILES for (Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride is C/C(=C/C(N)C(=O)O)CCC/N=C(\C)N.Cl.Cl.
What is the InChIKey of (Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride?
The InChIKey is QBNGBFODQMFNLO-AQTVDGORSA-N. The full InChI is InChI=1S/C10H19N3O2.2ClH/c1-7(6-9(12)10(14)15)4-3-5-13-8(2)11;;/h6,9H,3-5,12H2,1-2H3,(H2,11,13)(H,14,15);2*1H/b7-6-;;.
What are the key properties of (Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride?
(Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride has a molecular weight of 286.20 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-7-(1-aminoethylideneamino)-4-methylhept-3-enoic acid;dihydrochloride is sourced from PubChem (CID 162334607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).