(1-hydroxy-2-methylpent-3-enyl)azanium

C6H14NO+ — CID 163674756

IUPAC(1-hydroxy-2-methylpent-3-enyl)azanium
SMILESCC=CC(C)C([NH3+])O
InChIInChI=1S/C6H13NO/c1-3-4-5(2)6(7)8/h3-6,8H,7H2,1-2H3/p+1
InChIKeyJFRPKQDOIKJXAB-UHFFFAOYSA-O
MW116.18 g/mol
LogP-0.24
Rot. Bonds2

About (1-hydroxy-2-methylpent-3-enyl)azanium

(1-hydroxy-2-methylpent-3-enyl)azanium (PubChem CID 163674756) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is (1-hydroxy-2-methylpent-3-enyl)azanium.

Molecular Properties

Compound Name(1-hydroxy-2-methylpent-3-enyl)azanium
PubChem CID163674756
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name(1-hydroxy-2-methylpent-3-enyl)azanium
SMILESCC=CC(C)C([NH3+])O
InChIInChI=1S/C6H13NO/c1-3-4-5(2)6(7)8/h3-6,8H,7H2,1-2H3/p+1
InChIKeyJFRPKQDOIKJXAB-UHFFFAOYSA-O
XLogP-0.24
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-amino-2-[(E)-2-fluoroprop-1-enyl]hexa-3,5-dien-1-ol
CID 144038823
(Z)-5-amino-4-fluoro-2-methylhex-3-en-1-ol
CID 133623832
(E)-5-amino-2-methylpent-3-en-1-ol
CID 15755226
(E)-5-aminopent-3-en-1-ol
CID 21608501
1-Aminobut-3-en-1-ol
CID 23342193
5-Aminopent-3-en-1-ol
CID 73801102
5-Aminopent-3-en-1-ol;hydrochloride
CID 76223534
(E)-1-aminopent-3-en-1-ol
CID 87786079
1-Amino-2,3-dimethylpent-3-en-1-ol
CID 90725287
1-Amino-2,6-dimethylhept-4-en-1-ol
CID 91061847
(4-Aminocyclohexa-2,5-dien-1-yl)methanol
CID 122467605
1-Aminohex-3-en-1-ol
CID 123718508

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpent-3-enyl)azanium?
The IUPAC name of (1-hydroxy-2-methylpent-3-enyl)azanium (CID 163674756) is (1-hydroxy-2-methylpent-3-enyl)azanium.
What is the SMILES notation for (1-hydroxy-2-methylpent-3-enyl)azanium?
The canonical SMILES for (1-hydroxy-2-methylpent-3-enyl)azanium is CC=CC(C)C([NH3+])O.
What is the InChIKey of (1-hydroxy-2-methylpent-3-enyl)azanium?
The InChIKey is JFRPKQDOIKJXAB-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13NO/c1-3-4-5(2)6(7)8/h3-6,8H,7H2,1-2H3/p+1.
What are the key properties of (1-hydroxy-2-methylpent-3-enyl)azanium?
(1-hydroxy-2-methylpent-3-enyl)azanium has a molecular weight of 116.18 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpent-3-enyl)azanium is sourced from PubChem (CID 163674756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).