1-(pent-3-en-2-ylamino)propan-1-ol

C8H17NO — CID 123550077

IUPAC1-(pent-3-en-2-ylamino)propan-1-ol
SMILESCC=CC(C)NC(O)CC
InChIInChI=1S/C8H17NO/c1-4-6-7(3)9-8(10)5-2/h4,6-10H,5H2,1-3H3
InChIKeyIODHPFBVSMPZKY-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.27
Rot. Bonds4

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

1-(pent-3-en-2-ylamino)propan-1-ol (PubChem CID 123550077) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(pent-3-en-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1-(pent-3-en-2-ylamino)propan-1-ol
PubChem CID123550077
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(pent-3-en-2-ylamino)propan-1-ol
SMILESCC=CC(C)NC(O)CC
InChIInChI=1S/C8H17NO/c1-4-6-7(3)9-8(10)5-2/h4,6-10H,5H2,1-3H3
InChIKeyIODHPFBVSMPZKY-UHFFFAOYSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(pent-3-en-2-ylamino)propan-1-ol?
The IUPAC name of 1-(pent-3-en-2-ylamino)propan-1-ol (CID 123550077) is 1-(pent-3-en-2-ylamino)propan-1-ol.
What is the SMILES notation for 1-(pent-3-en-2-ylamino)propan-1-ol?
The canonical SMILES for 1-(pent-3-en-2-ylamino)propan-1-ol is CC=CC(C)NC(O)CC.
What is the InChIKey of 1-(pent-3-en-2-ylamino)propan-1-ol?
The InChIKey is IODHPFBVSMPZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-6-7(3)9-8(10)5-2/h4,6-10H,5H2,1-3H3.
What are the key properties of 1-(pent-3-en-2-ylamino)propan-1-ol?
1-(pent-3-en-2-ylamino)propan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pent-3-en-2-ylamino)propan-1-ol is sourced from PubChem (CID 123550077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).