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

C14H25NO — CID 115741729

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCC2=CCCOC2)C1C
InChIInChI=1S/C14H25NO/c1-11-5-3-7-14(12(11)2)15-9-13-6-4-8-16-10-13/h6,11-12,14-15H,3-5,7-10H2,1-2H3
InChIKeyVSSPMMKDEOWZKU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds3

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 115741729) 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)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID115741729
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NCC2=CCCOC2)C1C
InChIInChI=1S/C14H25NO/c1-11-5-3-7-14(12(11)2)15-9-13-6-4-8-16-10-13/h6,11-12,14-15H,3-5,7-10H2,1-2H3
InChIKeyVSSPMMKDEOWZKU-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
CID 115741719
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
CID 115741743
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine
CID 115741754
2-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741812
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylcyclohexan-1-amine
CID 115741813
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclohexan-1-amine
CID 115741823
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(3-methylcyclohexyl)methanamine
CID 115741900

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine (CID 115741729) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine is CC1CCCC(NCC2=CCCOC2)C1C.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is VSSPMMKDEOWZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-5-3-7-14(12(11)2)15-9-13-6-4-8-16-10-13/h6,11-12,14-15H,3-5,7-10H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 3 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)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 115741729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).