2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol

C9H19NO2 — CID 142999968

IUPAC2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol
SMILESC=C(C)CCCC(N)(CO)CO
InChIInChI=1S/C9H19NO2/c1-8(2)4-3-5-9(10,6-11)7-12/h11-12H,1,3-7,10H2,2H3
InChIKeyKDQUTYVZNROUJB-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.41
Rot. Bonds6

About 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol

2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol (PubChem CID 142999968) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol
PubChem CID142999968
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol
SMILESC=C(C)CCCC(N)(CO)CO
InChIInChI=1S/C9H19NO2/c1-8(2)4-3-5-9(10,6-11)7-12/h11-12H,1,3-7,10H2,2H3
InChIKeyKDQUTYVZNROUJB-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol
CID 123221513
2-Amino-2-(8-ethylidene-16-fluorohexadecyl)propane-1,3-diol
CID 123288875
2-Amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol
CID 123660766
2-Amino-2-octadec-9-enylpropane-1,3-diol
CID 54365112
2-Amino-2-(8-methylidenetetradecyl)propane-1,3-diol
CID 123300351
2-Amino-2-(16-amino-8-methylidenehexadecyl)propane-1,3-diol
CID 123461277
2-Amino-2-(3-ethyl-6-methyltetradeca-3,5-dienyl)propane-1,3-diol
CID 123568352
2-Amino-2-(3-methylpent-3-enyl)propane-1,3-diol
CID 123912582
2-Amino-2-(hydroxymethyl)-10-methylideneoctadecane-1,18-diol
CID 144535643
2-amino-2-[(E)-octadec-9-enyl]propane-1,3-diol
CID 21849558
3-Amino-3-tetradec-1-en-2-ylpentane-2,4-diol
CID 88515556
2-amino-3-(3,4-dihydro-2H-pyran-5-yl)-2-methylpropan-1-ol
CID 165709463

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol (CID 142999968) is 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol is C=C(C)CCCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol?
The InChIKey is KDQUTYVZNROUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)4-3-5-9(10,6-11)7-12/h11-12H,1,3-7,10H2,2H3.
What are the key properties of 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol?
2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol has a molecular weight of 173.26 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylpent-4-enyl)propane-1,3-diol is sourced from PubChem (CID 142999968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).