N-(oxan-4-ylmethyl)hex-5-en-1-amine

C12H23NO — CID 170016283

IUPACN-(oxan-4-ylmethyl)hex-5-en-1-amine
SMILESC=CCCCCNCC1CCOCC1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-8-13-11-12-6-9-14-10-7-12/h2,12-13H,1,3-11H2
InChIKeyHEOBPLWGYDJAEL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds7

About N-(oxan-4-ylmethyl)hex-5-en-1-amine

N-(oxan-4-ylmethyl)hex-5-en-1-amine (PubChem CID 170016283) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)hex-5-en-1-amine
PubChem CID170016283
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(oxan-4-ylmethyl)hex-5-en-1-amine
SMILESC=CCCCCNCC1CCOCC1
InChIInChI=1S/C12H23NO/c1-2-3-4-5-8-13-11-12-6-9-14-10-7-12/h2,12-13H,1,3-11H2
InChIKeyHEOBPLWGYDJAEL-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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 N-(oxan-4-ylmethyl)hex-5-en-1-amine?
The IUPAC name of N-(oxan-4-ylmethyl)hex-5-en-1-amine (CID 170016283) is N-(oxan-4-ylmethyl)hex-5-en-1-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)hex-5-en-1-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)hex-5-en-1-amine is C=CCCCCNCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)hex-5-en-1-amine?
The InChIKey is HEOBPLWGYDJAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-8-13-11-12-6-9-14-10-7-12/h2,12-13H,1,3-11H2.
What are the key properties of N-(oxan-4-ylmethyl)hex-5-en-1-amine?
N-(oxan-4-ylmethyl)hex-5-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)hex-5-en-1-amine is sourced from PubChem (CID 170016283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).