1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine

C15H28N2O — CID 55030543

IUPAC1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(CNCC2CCC=CO2)CCCCC1
InChIInChI=1S/C15H28N2O/c1-17(2)15(9-5-3-6-10-15)13-16-12-14-8-4-7-11-18-14/h7,11,14,16H,3-6,8-10,12-13H2,1-2H3
InChIKeyWNQFCWNHRWAETQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.53
Rot. Bonds5

About 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine

1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 55030543) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID55030543
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(CNCC2CCC=CO2)CCCCC1
InChIInChI=1S/C15H28N2O/c1-17(2)15(9-5-3-6-10-15)13-16-12-14-8-4-7-11-18-14/h7,11,14,16H,3-6,8-10,12-13H2,1-2H3
InChIKeyWNQFCWNHRWAETQ-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine (CID 55030543) is 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(CNCC2CCC=CO2)CCCCC1.
What is the InChIKey of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is WNQFCWNHRWAETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-17(2)15(9-5-3-6-10-15)13-16-12-14-8-4-7-11-18-14/h7,11,14,16H,3-6,8-10,12-13H2,1-2H3.
What are the key properties of 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dihydro-2H-pyran-2-ylmethylamino)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55030543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).