(Z)-3-amino-4-methylidenehex-2-en-2-ol

C7H13NO — CID 143962853

IUPAC(Z)-3-amino-4-methylidenehex-2-en-2-ol
SMILESC=C(CC)/C(N)=C(\C)O
InChIInChI=1S/C7H13NO/c1-4-5(2)7(8)6(3)9/h9H,2,4,8H2,1,3H3/b7-6-
InChIKeyJTTOZGWJCWTICP-SREVYHEPSA-N
MW127.19 g/mol
LogP1.70
Rot. Bonds2

About (Z)-3-amino-4-methylidenehex-2-en-2-ol

(Z)-3-amino-4-methylidenehex-2-en-2-ol (PubChem CID 143962853) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-3-amino-4-methylidenehex-2-en-2-ol.

Molecular Properties

Compound Name(Z)-3-amino-4-methylidenehex-2-en-2-ol
PubChem CID143962853
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z)-3-amino-4-methylidenehex-2-en-2-ol
SMILESC=C(CC)/C(N)=C(\C)O
InChIInChI=1S/C7H13NO/c1-4-5(2)7(8)6(3)9/h9H,2,4,8H2,1,3H3/b7-6-
InChIKeyJTTOZGWJCWTICP-SREVYHEPSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-3-amino-4-methylidenehex-2-en-2-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

(2E,4E)-6-amino-5-(2-fluoropropan-2-yl)hepta-2,4,6-trien-2-ol
CID 166648367
2-Amino-3-methylcyclohexa-1,3-dien-1-ol
CID 58436629
(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
CID 129145728
(3E,4Z)-2-amino-3-ethylidene-4-prop-2-enylidenecyclohexa-1,5-dien-1-ol
CID 134404751
(Z)-3-amino-5,5-dimethyl-4-methylidenehex-2-en-2-ol
CID 143962760
(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol
CID 143962844
(Z)-3-amino-5-methyl-4-methylidenehex-2-en-2-ol
CID 143962868
(2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol
CID 144639004
(4E)-5-amino-2-methyl-6-methylideneocta-2,4-dien-3-ol
CID 144914787
(2E,4E)-5-amino-3,6-dimethylhepta-2,4,6-trien-2-ol
CID 146288833
2-Amino-3-ethyl-6-methylcyclohepta-1,3,6-trien-1-ol
CID 155204673
(2E,4Z)-6-amino-5-ethylhepta-2,4,6-trien-3-ol
CID 163642775

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4-methylidenehex-2-en-2-ol?
The IUPAC name of (Z)-3-amino-4-methylidenehex-2-en-2-ol (CID 143962853) is (Z)-3-amino-4-methylidenehex-2-en-2-ol.
What is the SMILES notation for (Z)-3-amino-4-methylidenehex-2-en-2-ol?
The canonical SMILES for (Z)-3-amino-4-methylidenehex-2-en-2-ol is C=C(CC)/C(N)=C(\C)O.
What is the InChIKey of (Z)-3-amino-4-methylidenehex-2-en-2-ol?
The InChIKey is JTTOZGWJCWTICP-SREVYHEPSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5(2)7(8)6(3)9/h9H,2,4,8H2,1,3H3/b7-6-.
What are the key properties of (Z)-3-amino-4-methylidenehex-2-en-2-ol?
(Z)-3-amino-4-methylidenehex-2-en-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4-methylidenehex-2-en-2-ol is sourced from PubChem (CID 143962853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).