1-(pent-3-enylamino)butan-2-ol

C9H19NO — CID 123917228

IUPAC1-(pent-3-enylamino)butan-2-ol
SMILESCC=CCCNCC(O)CC
InChIInChI=1S/C9H19NO/c1-3-5-6-7-10-8-9(11)4-2/h3,5,9-11H,4,6-8H2,1-2H3
InChIKeyMJBOZJFRKNNVLU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds6

About 1-(pent-3-enylamino)butan-2-ol

1-(pent-3-enylamino)butan-2-ol (PubChem CID 123917228) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(pent-3-enylamino)butan-2-ol.

Molecular Properties

Compound Name1-(pent-3-enylamino)butan-2-ol
PubChem CID123917228
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(pent-3-enylamino)butan-2-ol
SMILESCC=CCCNCC(O)CC
InChIInChI=1S/C9H19NO/c1-3-5-6-7-10-8-9(11)4-2/h3,5,9-11H,4,6-8H2,1-2H3
InChIKeyMJBOZJFRKNNVLU-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
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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Related Compounds

(E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol
CID 10997149
(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol
CID 102264627
1,1,1-trifluoro-3-[[(E)-pent-3-enyl]amino]propan-2-ol
CID 116034062
1-(Butylamino)but-3-en-2-ol
CID 21713287
(2R)-1-(propan-2-ylamino)pent-3-en-2-ol
CID 54097564
1-(3,7-Dimethylocta-2,6-dienylamino)propan-2-ol
CID 54322729
1-(Propylamino)pent-3-en-2-ol
CID 57203524
1-(But-3-enylamino)propan-2-ol
CID 64314181
1-(Ethylamino)pent-4-en-2-ol
CID 79735617
1-(Propan-2-ylamino)pent-3-en-2-ol
CID 85360974
(E)-1-(ethylamino)pent-3-en-2-ol
CID 87301249
Ethanol;1-(methylamino)pent-4-en-2-ol
CID 88659962

Frequently Asked Questions

What is the IUPAC name of 1-(pent-3-enylamino)butan-2-ol?
The IUPAC name of 1-(pent-3-enylamino)butan-2-ol (CID 123917228) is 1-(pent-3-enylamino)butan-2-ol.
What is the SMILES notation for 1-(pent-3-enylamino)butan-2-ol?
The canonical SMILES for 1-(pent-3-enylamino)butan-2-ol is CC=CCCNCC(O)CC.
What is the InChIKey of 1-(pent-3-enylamino)butan-2-ol?
The InChIKey is MJBOZJFRKNNVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-6-7-10-8-9(11)4-2/h3,5,9-11H,4,6-8H2,1-2H3.
What are the key properties of 1-(pent-3-enylamino)butan-2-ol?
1-(pent-3-enylamino)butan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pent-3-enylamino)butan-2-ol is sourced from PubChem (CID 123917228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).