N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine

C14H25NO — CID 115742165

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC2=CCCOC2)C1
InChIInChI=1S/C14H25NO/c1-2-12-5-3-7-14(9-12)15-10-13-6-4-8-16-11-13/h6,12,14-15H,2-5,7-11H2,1H3
InChIKeyGWZGNZBCBSRSGF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine (PubChem CID 115742165) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine
PubChem CID115742165
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCC2=CCCOC2)C1
InChIInChI=1S/C14H25NO/c1-2-12-5-3-7-14(9-12)15-10-13-6-4-8-16-11-13/h6,12,14-15H,2-5,7-11H2,1H3
InChIKeyGWZGNZBCBSRSGF-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
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 N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine (CID 115742165) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine is CCC1CCCC(NCC2=CCCOC2)C1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine?
The InChIKey is GWZGNZBCBSRSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-12-5-3-7-14(9-12)15-10-13-6-4-8-16-11-13/h6,12,14-15H,2-5,7-11H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-ethylcyclohexan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 4 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)-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 115742165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).