1-amino-3-prop-2-enylhex-5-en-2-ol

C9H17NO — CID 57285632

IUPAC1-amino-3-prop-2-enylhex-5-en-2-ol
SMILESC=CCC(CC=C)C(O)CN
InChIInChI=1S/C9H17NO/c1-3-5-8(6-4-2)9(11)7-10/h3-4,8-9,11H,1-2,5-7,10H2
InChIKeyQUBSFRWQTPGCQC-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds6

About 1-amino-3-prop-2-enylhex-5-en-2-ol

1-amino-3-prop-2-enylhex-5-en-2-ol (PubChem CID 57285632) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-amino-3-prop-2-enylhex-5-en-2-ol.

Molecular Properties

Compound Name1-amino-3-prop-2-enylhex-5-en-2-ol
PubChem CID57285632
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-amino-3-prop-2-enylhex-5-en-2-ol
SMILESC=CCC(CC=C)C(O)CN
InChIInChI=1S/C9H17NO/c1-3-5-8(6-4-2)9(11)7-10/h3-4,8-9,11H,1-2,5-7,10H2
InChIKeyQUBSFRWQTPGCQC-UHFFFAOYSA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
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 1-amino-3-prop-2-enylhex-5-en-2-ol?
The IUPAC name of 1-amino-3-prop-2-enylhex-5-en-2-ol (CID 57285632) is 1-amino-3-prop-2-enylhex-5-en-2-ol.
What is the SMILES notation for 1-amino-3-prop-2-enylhex-5-en-2-ol?
The canonical SMILES for 1-amino-3-prop-2-enylhex-5-en-2-ol is C=CCC(CC=C)C(O)CN.
What is the InChIKey of 1-amino-3-prop-2-enylhex-5-en-2-ol?
The InChIKey is QUBSFRWQTPGCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-8(6-4-2)9(11)7-10/h3-4,8-9,11H,1-2,5-7,10H2.
What are the key properties of 1-amino-3-prop-2-enylhex-5-en-2-ol?
1-amino-3-prop-2-enylhex-5-en-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-prop-2-enylhex-5-en-2-ol is sourced from PubChem (CID 57285632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).