N-(oxan-2-ylmethyl)hept-6-en-1-amine

C13H25NO — CID 107006721

IUPACN-(oxan-2-ylmethyl)hept-6-en-1-amine
SMILESC=CCCCCCNCC1CCCCO1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-7-10-14-12-13-9-6-8-11-15-13/h2,13-14H,1,3-12H2
InChIKeyFIJFCHMGNSBKMH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds8

About N-(oxan-2-ylmethyl)hept-6-en-1-amine

N-(oxan-2-ylmethyl)hept-6-en-1-amine (PubChem CID 107006721) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)hept-6-en-1-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)hept-6-en-1-amine
PubChem CID107006721
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(oxan-2-ylmethyl)hept-6-en-1-amine
SMILESC=CCCCCCNCC1CCCCO1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-7-10-14-12-13-9-6-8-11-15-13/h2,13-14H,1,3-12H2
InChIKeyFIJFCHMGNSBKMH-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
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-2-ylmethyl)hept-6-en-1-amine?
The IUPAC name of N-(oxan-2-ylmethyl)hept-6-en-1-amine (CID 107006721) is N-(oxan-2-ylmethyl)hept-6-en-1-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)hept-6-en-1-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)hept-6-en-1-amine is C=CCCCCCNCC1CCCCO1.
What is the InChIKey of N-(oxan-2-ylmethyl)hept-6-en-1-amine?
The InChIKey is FIJFCHMGNSBKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-7-10-14-12-13-9-6-8-11-15-13/h2,13-14H,1,3-12H2.
What are the key properties of N-(oxan-2-ylmethyl)hept-6-en-1-amine?
N-(oxan-2-ylmethyl)hept-6-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)hept-6-en-1-amine is sourced from PubChem (CID 107006721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).