(2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol

C8H15NO — CID 144639004

IUPAC(2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol
SMILESCC/C=C(C)\C(N)=C(/C)O
InChIInChI=1S/C8H15NO/c1-4-5-6(2)8(9)7(3)10/h5,10H,4,9H2,1-3H3/b6-5-,8-7-
InChIKeyDMLMSNSGDYCNCG-ISTTXYCBSA-N
MW141.21 g/mol
LogP2.09
Rot. Bonds2

About (2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol

(2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol (PubChem CID 144639004) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol
PubChem CID144639004
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol
SMILESCC/C=C(C)\C(N)=C(/C)O
InChIInChI=1S/C8H15NO/c1-4-5-6(2)8(9)7(3)10/h5,10H,4,9H2,1-3H3/b6-5-,8-7-
InChIKeyDMLMSNSGDYCNCG-ISTTXYCBSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.09
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'}

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Related Compounds

(2E,4Z)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol
CID 144851394
(2E,4E)-6-amino-5-(2-fluoropropan-2-yl)hepta-2,4,6-trien-2-ol
CID 166648367
2-Amino-6-hydroxy-4-methylhepta-1,3,5-triene-1,1,3-tricarbonitrile
CID 135393604
2-Amino-3-methylcyclohexa-1,3-dien-1-ol
CID 58436629
4-Amino-2,6-dimethylbenzene-5-id-1-ol;yttrium
CID 59839387
2-Amino-3,4-dimethylbenzene-6-id-1-ol;yttrium
CID 60070095
(3E,5Z)-6-amino-2,4-dimethylhepta-1,3,5-trien-3-ol
CID 88226427
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2E,4E)-4-amino-7-methylocta-2,4,7-trien-3-ol
CID 89010550
(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
CID 129145728
(2E,4E)-4-amino-6-methylhepta-2,4,6-trien-3-ol
CID 132032641
(3E)-5-aminohexa-3,5-dien-3-ol
CID 132207868

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol?
The IUPAC name of (2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol (CID 144639004) is (2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol.
What is the SMILES notation for (2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol?
The canonical SMILES for (2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol is CC/C=C(C)\C(N)=C(/C)O.
What is the InChIKey of (2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol?
The InChIKey is DMLMSNSGDYCNCG-ISTTXYCBSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6(2)8(9)7(3)10/h5,10H,4,9H2,1-3H3/b6-5-,8-7-.
What are the key properties of (2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol?
(2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol has a molecular weight of 141.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol is sourced from PubChem (CID 144639004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).