N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine

C13H23NO — CID 115908913

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine
SMILESC=CCCCC(C)NCC1=CCCOC1
InChIInChI=1S/C13H23NO/c1-3-4-5-7-12(2)14-10-13-8-6-9-15-11-13/h3,8,12,14H,1,4-7,9-11H2,2H3
InChIKeyVNHYPVXXABKOFB-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.67
Rot. Bonds7

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine (PubChem CID 115908913) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine
PubChem CID115908913
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine
SMILESC=CCCCC(C)NCC1=CCCOC1
InChIInChI=1S/C13H23NO/c1-3-4-5-7-12(2)14-10-13-8-6-9-15-11-13/h3,8,12,14H,1,4-7,9-11H2,2H3
InChIKeyVNHYPVXXABKOFB-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.67
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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Related Compounds

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CID 177009350
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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine (CID 115908913) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine is C=CCCCC(C)NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine?
The InChIKey is VNHYPVXXABKOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-5-7-12(2)14-10-13-8-6-9-15-11-13/h3,8,12,14H,1,4-7,9-11H2,2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine has a molecular weight of 209.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine is sourced from PubChem (CID 115908913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).