(3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol

C8H16N2O — CID 126747543

IUPAC(3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol
SMILESC/C(N)=C/C=C(\N)C(C)(C)O
InChIInChI=1S/C8H16N2O/c1-6(9)4-5-7(10)8(2,3)11/h4-5,11H,9-10H2,1-3H3/b6-4-,7-5-
InChIKeyIMTHRXYZTBTFBH-PEPZGXQESA-N
MW156.23 g/mol
LogP0.46
Rot. Bonds2

About (3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol

(3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol (PubChem CID 126747543) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol
PubChem CID126747543
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol
SMILESC/C(N)=C/C=C(\N)C(C)(C)O
InChIInChI=1S/C8H16N2O/c1-6(9)4-5-7(10)8(2,3)11/h4-5,11H,9-10H2,1-3H3/b6-4-,7-5-
InChIKeyIMTHRXYZTBTFBH-PEPZGXQESA-N
XLogP0.46
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,6E)-6-aminoocta-1,3,6-trien-2-ol
CID 130391051
(2E,4E)-4-amino-6-methylhepta-2,4,6-trien-3-ol
CID 132032641
3-Amino-1-methylcyclohepta-2,4,6-trien-1-ol
CID 142803373
(4Z)-6-amino-3-methylhepta-1,4,6-trien-3-ol
CID 142881566
4-Amino-1-methylcyclohepta-2,4,6-trien-1-ol
CID 142884299
5,7-Diamino-5-methylcyclohepta-1,3,6-trien-1-ol
CID 143759338
(2E,4E)-3-aminohepta-2,4-dien-4-ol;ethane
CID 144087100
(1E,3Z)-1,4-diamino-5-methylhexa-1,3-diene-1,5-diol
CID 144814548
(4E)-5-amino-2,6-dimethylhepta-2,4,6-trien-3-ol;ethane
CID 144914692
(2E,4E)-4-aminohepta-2,4-dien-3-ol;ethane
CID 145516578
(3Z,5E)-5-amino-4-methylhepta-1,3,5-trien-2-ol
CID 145586013
(E)-4-amino-2-methylpent-3-en-2-ol
CID 146271136

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol?
The IUPAC name of (3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol (CID 126747543) is (3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol.
What is the SMILES notation for (3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol?
The canonical SMILES for (3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol is C/C(N)=C/C=C(\N)C(C)(C)O.
What is the InChIKey of (3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol?
The InChIKey is IMTHRXYZTBTFBH-PEPZGXQESA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(9)4-5-7(10)8(2,3)11/h4-5,11H,9-10H2,1-3H3/b6-4-,7-5-.
What are the key properties of (3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol?
(3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol has a molecular weight of 156.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,6-diamino-2-methylhepta-3,5-dien-2-ol is sourced from PubChem (CID 126747543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).