(2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol

C9H17N3O — CID 145222265

IUPAC(2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol
SMILESC=C/C(C)=C\C(=C(\N)CO)N(C)N
InChIInChI=1S/C9H17N3O/c1-4-7(2)5-9(12(3)11)8(10)6-13/h4-5,13H,1,6,10-11H2,2-3H3/b7-5-,9-8-
InChIKeyINZKSNISTNYNJZ-PJHABFGRSA-N
MW183.25 g/mol
LogP0.09
Rot. Bonds4

About (2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol

(2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol (PubChem CID 145222265) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name(2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol
PubChem CID145222265
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol
SMILESC=C/C(C)=C\C(=C(\N)CO)N(C)N
InChIInChI=1S/C9H17N3O/c1-4-7(2)5-9(12(3)11)8(10)6-13/h4-5,13H,1,6,10-11H2,2-3H3/b7-5-,9-8-
InChIKeyINZKSNISTNYNJZ-PJHABFGRSA-N
XLogP0.09
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol 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

ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine
CID 142966093
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396
(5Z)-2-amino-6-methylocta-2,5,7-trien-4-one
CID 163530566
(1Z)-N-ethenyl-N,2-dimethylbuta-1,3-dien-1-amine
CID 143349848
1-methyl-1-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]hydrazine
CID 170144410
(1E,3Z)-2-chloro-4-methylhexa-1,3,5-trien-1-amine
CID 89145510
3-methylpenta-2,4-dien-1-ol
CID 534959
(2E)-N,N'-diamino-2-ethenyl-N,4-dimethylpenta-2,4-dienimidamide
CID 144625552
(3Z,5E)-5-ethoxy-3-methylhepta-1,3,5-triene
CID 131995054
CID 76549260
CID 76549260
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
N-methyl-N-[(3Z)-3-methyl-7-methylidenenona-1,3,8-trien-5-yl]thiohydroxylamine
CID 174253771

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol?
The IUPAC name of (2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol (CID 145222265) is (2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol.
What is the SMILES notation for (2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol?
The canonical SMILES for (2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol is C=C/C(C)=C\C(=C(\N)CO)N(C)N.
What is the InChIKey of (2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol?
The InChIKey is INZKSNISTNYNJZ-PJHABFGRSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-7(2)5-9(12(3)11)8(10)6-13/h4-5,13H,1,6,10-11H2,2-3H3/b7-5-,9-8-.
What are the key properties of (2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol?
(2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-amino-3-[amino(methyl)amino]-5-methylhepta-2,4,6-trien-1-ol is sourced from PubChem (CID 145222265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).