2,4-dimethyl-1-(propylamino)pent-3-en-2-ol

C10H21NO — CID 79177775

IUPAC2,4-dimethyl-1-(propylamino)pent-3-en-2-ol
SMILESCCCNCC(C)(O)C=C(C)C
InChIInChI=1S/C10H21NO/c1-5-6-11-8-10(4,12)7-9(2)3/h7,11-12H,5-6,8H2,1-4H3
InChIKeySCNBTXDUEJFISK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds5

About 2,4-dimethyl-1-(propylamino)pent-3-en-2-ol

2,4-dimethyl-1-(propylamino)pent-3-en-2-ol (PubChem CID 79177775) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,4-dimethyl-1-(propylamino)pent-3-en-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-(propylamino)pent-3-en-2-ol
PubChem CID79177775
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,4-dimethyl-1-(propylamino)pent-3-en-2-ol
SMILESCCCNCC(C)(O)C=C(C)C
InChIInChI=1S/C10H21NO/c1-5-6-11-8-10(4,12)7-9(2)3/h7,11-12H,5-6,8H2,1-4H3
InChIKeySCNBTXDUEJFISK-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(propylamino)pent-3-en-2-ol?
The IUPAC name of 2,4-dimethyl-1-(propylamino)pent-3-en-2-ol (CID 79177775) is 2,4-dimethyl-1-(propylamino)pent-3-en-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-(propylamino)pent-3-en-2-ol?
The canonical SMILES for 2,4-dimethyl-1-(propylamino)pent-3-en-2-ol is CCCNCC(C)(O)C=C(C)C.
What is the InChIKey of 2,4-dimethyl-1-(propylamino)pent-3-en-2-ol?
The InChIKey is SCNBTXDUEJFISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-11-8-10(4,12)7-9(2)3/h7,11-12H,5-6,8H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-(propylamino)pent-3-en-2-ol?
2,4-dimethyl-1-(propylamino)pent-3-en-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(propylamino)pent-3-en-2-ol is sourced from PubChem (CID 79177775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).