3-[(but-3-en-2-ylamino)methyl]hexan-1-ol

C11H23NO — CID 106115192

IUPAC3-[(but-3-en-2-ylamino)methyl]hexan-1-ol
SMILESC=CC(C)NCC(CCC)CCO
InChIInChI=1S/C11H23NO/c1-4-6-11(7-8-13)9-12-10(3)5-2/h5,10-13H,2,4,6-9H2,1,3H3
InChIKeySUBKKYPZCRNIBT-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds8

About 3-[(but-3-en-2-ylamino)methyl]hexan-1-ol

3-[(but-3-en-2-ylamino)methyl]hexan-1-ol (PubChem CID 106115192) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[(but-3-en-2-ylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(but-3-en-2-ylamino)methyl]hexan-1-ol
PubChem CID106115192
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-[(but-3-en-2-ylamino)methyl]hexan-1-ol
SMILESC=CC(C)NCC(CCC)CCO
InChIInChI=1S/C11H23NO/c1-4-6-11(7-8-13)9-12-10(3)5-2/h5,10-13H,2,4,6-9H2,1,3H3
InChIKeySUBKKYPZCRNIBT-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.95
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 3-[(but-3-en-2-ylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(but-3-en-2-ylamino)methyl]hexan-1-ol (CID 106115192) is 3-[(but-3-en-2-ylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(but-3-en-2-ylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(but-3-en-2-ylamino)methyl]hexan-1-ol is C=CC(C)NCC(CCC)CCO.
What is the InChIKey of 3-[(but-3-en-2-ylamino)methyl]hexan-1-ol?
The InChIKey is SUBKKYPZCRNIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-11(7-8-13)9-12-10(3)5-2/h5,10-13H,2,4,6-9H2,1,3H3.
What are the key properties of 3-[(but-3-en-2-ylamino)methyl]hexan-1-ol?
3-[(but-3-en-2-ylamino)methyl]hexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(but-3-en-2-ylamino)methyl]hexan-1-ol is sourced from PubChem (CID 106115192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).