N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine

C12H21NO — CID 115741763

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine
SMILESC1=C(CNC2CCCCC2)COCC1
InChIInChI=1S/C12H21NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h5,12-13H,1-4,6-10H2
InChIKeyKNGOVQCMJOVCAG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine (PubChem CID 115741763) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine
PubChem CID115741763
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine
SMILESC1=C(CNC2CCCCC2)COCC1
InChIInChI=1S/C12H21NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h5,12-13H,1-4,6-10H2
InChIKeyKNGOVQCMJOVCAG-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.26
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)-5,5,5-trifluoropentan-1-amine
CID 115757862
N-Cyclohexyl-4-methyl-3,6-dihydro-2H-pyran-3-amine
CID 13530832
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
CID 115674325
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)cyclopropanamine
CID 115678446
2-(cyclohexen-1-yl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115741718
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
CID 115741719
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
CID 115741720
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)butan-1-amine
CID 115741734

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine (CID 115741763) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine is C1=C(CNC2CCCCC2)COCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine?
The InChIKey is KNGOVQCMJOVCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h5,12-13H,1-4,6-10H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine has a molecular weight of 195.31 g/mol, XLogP of 2.26, 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)cyclohexanamine is sourced from PubChem (CID 115741763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).