N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine

C14H25NO — CID 115741901

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CNCC2=CCCOC2)CC1
InChIInChI=1S/C14H25NO/c1-12-4-6-13(7-5-12)9-15-10-14-3-2-8-16-11-14/h3,12-13,15H,2,4-11H2,1H3
InChIKeyDUVDHPRGYSEKRJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine (PubChem CID 115741901) 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)-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine
PubChem CID115741901
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CNCC2=CCCOC2)CC1
InChIInChI=1S/C14H25NO/c1-12-4-6-13(7-5-12)9-15-10-14-3-2-8-16-11-14/h3,12-13,15H,2,4-11H2,1H3
InChIKeyDUVDHPRGYSEKRJ-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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)-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine (CID 115741901) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine is CC1CCC(CNCC2=CCCOC2)CC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine?
The InChIKey is DUVDHPRGYSEKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12-4-6-13(7-5-12)9-15-10-14-3-2-8-16-11-14/h3,12-13,15H,2,4-11H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(4-methylcyclohexyl)methanamine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 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)-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 115741901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).