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

C14H25NO — CID 115741900

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(CNCC2=CCCOC2)C1
InChIInChI=1S/C14H25NO/c1-12-4-2-5-13(8-12)9-15-10-14-6-3-7-16-11-14/h6,12-13,15H,2-5,7-11H2,1H3
InChIKeyRVFIRUATVJKGBC-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds4

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine (PubChem CID 115741900) 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-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine
PubChem CID115741900
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine
SMILESCC1CCCC(CNCC2=CCCOC2)C1
InChIInChI=1S/C14H25NO/c1-12-4-2-5-13(8-12)9-15-10-14-6-3-7-16-11-14/h6,12-13,15H,2-5,7-11H2,1H3
InChIKeyRVFIRUATVJKGBC-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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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,4-dimethylcyclohexan-1-amine
CID 104588469
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1,4-dimethylcyclohexan-1-amine
CID 115674415
2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741718
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 115741729
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
CID 115741741
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
CID 115741743
N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-1-amine
CID 115741749
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine
CID 115741754
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine
CID 115741763

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine (CID 115741900) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine is CC1CCCC(CNCC2=CCCOC2)C1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine?
The InChIKey is RVFIRUATVJKGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12-4-2-5-13(8-12)9-15-10-14-6-3-7-16-11-14/h6,12-13,15H,2-5,7-11H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-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-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 115741900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).