1-amino-5-(prop-2-enylamino)pentan-1-ol

C8H18N2O — CID 88814015

IUPAC1-amino-5-(prop-2-enylamino)pentan-1-ol
SMILESC=CCNCCCCC(N)O
InChIInChI=1S/C8H18N2O/c1-2-6-10-7-4-3-5-8(9)11/h2,8,10-11H,1,3-7,9H2
InChIKeyHCYTVIJUDBXPQR-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.21
Rot. Bonds7

About 1-amino-5-(prop-2-enylamino)pentan-1-ol

1-amino-5-(prop-2-enylamino)pentan-1-ol (PubChem CID 88814015) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-amino-5-(prop-2-enylamino)pentan-1-ol.

Molecular Properties

Compound Name1-amino-5-(prop-2-enylamino)pentan-1-ol
PubChem CID88814015
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-amino-5-(prop-2-enylamino)pentan-1-ol
SMILESC=CCNCCCCC(N)O
InChIInChI=1S/C8H18N2O/c1-2-6-10-7-4-3-5-8(9)11/h2,8,10-11H,1,3-7,9H2
InChIKeyHCYTVIJUDBXPQR-UHFFFAOYSA-N
XLogP0.21
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-amino-5-(prop-2-enylamino)pentan-1-ol?
The IUPAC name of 1-amino-5-(prop-2-enylamino)pentan-1-ol (CID 88814015) is 1-amino-5-(prop-2-enylamino)pentan-1-ol.
What is the SMILES notation for 1-amino-5-(prop-2-enylamino)pentan-1-ol?
The canonical SMILES for 1-amino-5-(prop-2-enylamino)pentan-1-ol is C=CCNCCCCC(N)O.
What is the InChIKey of 1-amino-5-(prop-2-enylamino)pentan-1-ol?
The InChIKey is HCYTVIJUDBXPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-6-10-7-4-3-5-8(9)11/h2,8,10-11H,1,3-7,9H2.
What are the key properties of 1-amino-5-(prop-2-enylamino)pentan-1-ol?
1-amino-5-(prop-2-enylamino)pentan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(prop-2-enylamino)pentan-1-ol is sourced from PubChem (CID 88814015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).