6-[bis(prop-2-enyl)amino]hexan-1-ol

C12H23NO — CID 20583728

IUPAC6-[bis(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(CC=C)CCCCCCO
InChIInChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h3-4,14H,1-2,5-12H2
InChIKeyHPLIPWHUTCBKBG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds10

About 6-[bis(prop-2-enyl)amino]hexan-1-ol

6-[bis(prop-2-enyl)amino]hexan-1-ol (PubChem CID 20583728) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]hexan-1-ol
PubChem CID20583728
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name6-[bis(prop-2-enyl)amino]hexan-1-ol
SMILESC=CCN(CC=C)CCCCCCO
InChIInChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h3-4,14H,1-2,5-12H2
InChIKeyHPLIPWHUTCBKBG-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
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 6-[bis(prop-2-enyl)amino]hexan-1-ol?
The IUPAC name of 6-[bis(prop-2-enyl)amino]hexan-1-ol (CID 20583728) is 6-[bis(prop-2-enyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]hexan-1-ol?
The canonical SMILES for 6-[bis(prop-2-enyl)amino]hexan-1-ol is C=CCN(CC=C)CCCCCCO.
What is the InChIKey of 6-[bis(prop-2-enyl)amino]hexan-1-ol?
The InChIKey is HPLIPWHUTCBKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-9-13(10-4-2)11-7-5-6-8-12-14/h3-4,14H,1-2,5-12H2.
What are the key properties of 6-[bis(prop-2-enyl)amino]hexan-1-ol?
6-[bis(prop-2-enyl)amino]hexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(prop-2-enyl)amino]hexan-1-ol is sourced from PubChem (CID 20583728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).