4-amino-3-methylhept-6-ene-2,3,4-triol

C8H17NO3 — CID 87816795

IUPAC4-amino-3-methylhept-6-ene-2,3,4-triol
SMILESC=CCC(N)(O)C(C)(O)C(C)O
InChIInChI=1S/C8H17NO3/c1-4-5-8(9,12)7(3,11)6(2)10/h4,6,10-12H,1,5,9H2,2-3H3
InChIKeyGOHZVNFNDVNMDH-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.66
Rot. Bonds4

About 4-amino-3-methylhept-6-ene-2,3,4-triol

4-amino-3-methylhept-6-ene-2,3,4-triol (PubChem CID 87816795) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-amino-3-methylhept-6-ene-2,3,4-triol.

Molecular Properties

Compound Name4-amino-3-methylhept-6-ene-2,3,4-triol
PubChem CID87816795
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-amino-3-methylhept-6-ene-2,3,4-triol
SMILESC=CCC(N)(O)C(C)(O)C(C)O
InChIInChI=1S/C8H17NO3/c1-4-5-8(9,12)7(3,11)6(2)10/h4,6,10-12H,1,5,9H2,2-3H3
InChIKeyGOHZVNFNDVNMDH-UHFFFAOYSA-N
XLogP-0.66
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methylhex-5-en-3-ol
CID 87728442
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
2,5-dihydroxy-5-methyloct-7-en-3-one
CID 87378107
1-amino-2-methylpent-4-en-2-ol;hydrochloride
CID 134542347
4-aminohepta-1,6-dien-4-ol
CID 87970022
3,4,4-trimethylhexane-2,3-diol
CID 67159588
(3R)-3-[(1R)-1-hydroxyethyl]-3-methylhex-5-en-2-one
CID 131227901
1-tert-butylsulfanyl-2-(tert-butylsulfanylmethyl)pent-4-en-2-ol
CID 71669760
2-amino-2-methylpent-4-en-1-ol
CID 55291318
3,3-dimethylhex-5-en-2-amine
CID 130019272
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylhept-6-ene-2,3,4-triol?
The IUPAC name of 4-amino-3-methylhept-6-ene-2,3,4-triol (CID 87816795) is 4-amino-3-methylhept-6-ene-2,3,4-triol.
What is the SMILES notation for 4-amino-3-methylhept-6-ene-2,3,4-triol?
The canonical SMILES for 4-amino-3-methylhept-6-ene-2,3,4-triol is C=CCC(N)(O)C(C)(O)C(C)O.
What is the InChIKey of 4-amino-3-methylhept-6-ene-2,3,4-triol?
The InChIKey is GOHZVNFNDVNMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-5-8(9,12)7(3,11)6(2)10/h4,6,10-12H,1,5,9H2,2-3H3.
What are the key properties of 4-amino-3-methylhept-6-ene-2,3,4-triol?
4-amino-3-methylhept-6-ene-2,3,4-triol has a molecular weight of 175.23 g/mol, XLogP of -0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylhept-6-ene-2,3,4-triol is sourced from PubChem (CID 87816795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).