2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol

C10H21NO — CID 79179943

IUPAC2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol
SMILESC=C(C)C(C)(O)CCNC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)10(5,12)6-7-11-9(3)4/h9,11-12H,1,6-7H2,2-5H3
InChIKeyLGYQBEPMUJCYRL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds5

About 2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol

2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol (PubChem CID 79179943) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol.

Molecular Properties

Compound Name2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol
PubChem CID79179943
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol
SMILESC=C(C)C(C)(O)CCNC(C)C
InChIInChI=1S/C10H21NO/c1-8(2)10(5,12)6-7-11-9(3)4/h9,11-12H,1,6-7H2,2-5H3
InChIKeyLGYQBEPMUJCYRL-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol?
The IUPAC name of 2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol (CID 79179943) is 2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol.
What is the SMILES notation for 2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol?
The canonical SMILES for 2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol is C=C(C)C(C)(O)CCNC(C)C.
What is the InChIKey of 2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol?
The InChIKey is LGYQBEPMUJCYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)10(5,12)6-7-11-9(3)4/h9,11-12H,1,6-7H2,2-5H3.
What are the key properties of 2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol?
2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-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 2,3-dimethyl-5-(propan-2-ylamino)pent-1-en-3-ol is sourced from PubChem (CID 79179943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).