2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol

C9H19NO2 — CID 123912582

IUPAC2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol
SMILESCC=C(C)CCC(N)(CO)CO
InChIInChI=1S/C9H19NO2/c1-3-8(2)4-5-9(10,6-11)7-12/h3,11-12H,4-7,10H2,1-2H3
InChIKeyXNMKQCWQINFYAK-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.41
Rot. Bonds5

About 2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol

2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol (PubChem CID 123912582) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol
PubChem CID123912582
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol
SMILESCC=C(C)CCC(N)(CO)CO
InChIInChI=1S/C9H19NO2/c1-3-8(2)4-5-9(10,6-11)7-12/h3,11-12H,4-7,10H2,1-2H3
InChIKeyXNMKQCWQINFYAK-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-2-(8-ethylidene-16-fluorohexadecyl)propane-1,3-diol
CID 123288875
2-Amino-3,7-dimethyl-6-octene-1,3-diol
CID 19928723
2-amino-2-[(E)-tetradec-4-enyl]propane-1,3-diol;hydrochloride
CID 21849178
2-amino-2-[(E)-tetradec-4-enyl]propane-1,3-diol
CID 21849179
2-amino-2-[(E)-octadec-9-enyl]propane-1,3-diol;hydrochloride
CID 21849557
2-Amino-2-tetradec-4-enylpropane-1,3-diol
CID 53872959
2-Amino-2-octadec-9-enylpropane-1,3-diol
CID 54365112
2-Amino-2-(4-tetradecenyl)1,3-propanediol hydrochloride
CID 73848576
2-Amino-2-octadec-9-enylpropane-1,3-diol;hydrochloride
CID 73848578
2-Amino-2-(3-ethyl-6-methyltetradeca-3,5-dienyl)propane-1,3-diol
CID 123568352
2-Amino-2-(3-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
CID 123742546
2-Amino-2-[2-(4,4-dimethylcyclohexa-1,5-dien-1-yl)ethyl]propane-1,3-diol
CID 134480049

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol (CID 123912582) is 2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol is CC=C(C)CCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol?
The InChIKey is XNMKQCWQINFYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-8(2)4-5-9(10,6-11)7-12/h3,11-12H,4-7,10H2,1-2H3.
What are the key properties of 2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol?
2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol has a molecular weight of 173.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methylpent-3-enyl)propane-1,3-diol is sourced from PubChem (CID 123912582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).