5-(2-methylpropylamino)pent-1-en-3-ol

C9H19NO — CID 135019033

IUPAC5-(2-methylpropylamino)pent-1-en-3-ol
SMILESC=CC(O)CCNCC(C)C
InChIInChI=1S/C9H19NO/c1-4-9(11)5-6-10-7-8(2)3/h4,8-11H,1,5-7H2,2-3H3
InChIKeyGQRYYYPMTHNZOA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.17
Rot. Bonds6

About 5-(2-methylpropylamino)pent-1-en-3-ol

5-(2-methylpropylamino)pent-1-en-3-ol (PubChem CID 135019033) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 5-(2-methylpropylamino)pent-1-en-3-ol.

Molecular Properties

Compound Name5-(2-methylpropylamino)pent-1-en-3-ol
PubChem CID135019033
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name5-(2-methylpropylamino)pent-1-en-3-ol
SMILESC=CC(O)CCNCC(C)C
InChIInChI=1S/C9H19NO/c1-4-9(11)5-6-10-7-8(2)3/h4,8-11H,1,5-7H2,2-3H3
InChIKeyGQRYYYPMTHNZOA-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.17
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 5-(2-methylpropylamino)pent-1-en-3-ol?
The IUPAC name of 5-(2-methylpropylamino)pent-1-en-3-ol (CID 135019033) is 5-(2-methylpropylamino)pent-1-en-3-ol.
What is the SMILES notation for 5-(2-methylpropylamino)pent-1-en-3-ol?
The canonical SMILES for 5-(2-methylpropylamino)pent-1-en-3-ol is C=CC(O)CCNCC(C)C.
What is the InChIKey of 5-(2-methylpropylamino)pent-1-en-3-ol?
The InChIKey is GQRYYYPMTHNZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(11)5-6-10-7-8(2)3/h4,8-11H,1,5-7H2,2-3H3.
What are the key properties of 5-(2-methylpropylamino)pent-1-en-3-ol?
5-(2-methylpropylamino)pent-1-en-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)pent-1-en-3-ol is sourced from PubChem (CID 135019033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).