(2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol

C7H13NO2 — CID 163501067

IUPAC(2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol
SMILESC/C(O)=C(\C=C/CO)CN
InChIInChI=1S/C7H13NO2/c1-6(10)7(5-8)3-2-4-9/h2-3,9-10H,4-5,8H2,1H3/b3-2-,7-6-
InChIKeyCUTONVWZCGRWFD-QPHZJVINSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds3

About (2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol

(2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol (PubChem CID 163501067) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol.

Molecular Properties

Compound Name(2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol
PubChem CID163501067
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol
SMILESC/C(O)=C(\C=C/CO)CN
InChIInChI=1S/C7H13NO2/c1-6(10)7(5-8)3-2-4-9/h2-3,9-10H,4-5,8H2,1H3/b3-2-,7-6-
InChIKeyCUTONVWZCGRWFD-QPHZJVINSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 88860175
(3Z,5E)-7-amino-6-methylhepta-3,5-diene-3,4-diol
CID 89185801
3-(Aminomethyl)cyclohepta-1,3,6-trien-1-ol
CID 89381340
(3Z,5E)-8-amino-6-methylocta-1,3,5-triene-3,4-diol
CID 89679060
(2E,3Z)-3-(aminomethyl)-2-ethylidene-5-methylhexa-3,5-diene-1,4-diol
CID 90125027
(2Z)-1-amino-6-methylhepta-2,5-dien-4-ol
CID 122627041
(2E,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 137393695
(Z,2E)-1-amino-2-ethylidenepent-3-en-1-ol
CID 137458466
(2E,4E)-1-amino-3,7-dimethylocta-2,4,6-trien-1-ol
CID 141767040
(3Z)-5-(aminomethyl)hexa-1,3,5-trien-2-ol;ethane
CID 141936633
(3Z)-5-(aminomethyl)hexa-1,3,5-trien-2-ol
CID 141936634
(2E,4E)-5-(aminomethyl)hepta-2,4,6-trien-3-ol
CID 142901983

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol?
The IUPAC name of (2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol (CID 163501067) is (2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol.
What is the SMILES notation for (2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol?
The canonical SMILES for (2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol is C/C(O)=C(\C=C/CO)CN.
What is the InChIKey of (2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol?
The InChIKey is CUTONVWZCGRWFD-QPHZJVINSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(10)7(5-8)3-2-4-9/h2-3,9-10H,4-5,8H2,1H3/b3-2-,7-6-.
What are the key properties of (2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol?
(2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol has a molecular weight of 143.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-(aminomethyl)hexa-2,4-diene-1,5-diol is sourced from PubChem (CID 163501067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).