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

C12H19NO — CID 115742302

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2=CCCOC2)CCC1
InChIInChI=1S/C12H19NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h2,5-6,12-13H,1,3-4,7-10H2
InChIKeyXFYMKGHDCDMFQU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.03
Rot. Bonds3

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine (PubChem CID 115742302) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine
PubChem CID115742302
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCC2=CCCOC2)CCC1
InChIInChI=1S/C12H19NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h2,5-6,12-13H,1,3-4,7-10H2
InChIKeyXFYMKGHDCDMFQU-UHFFFAOYSA-N
XLogP2.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.03
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-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-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]hex-5-en-2-amine
CID 104583559
N-[3-(2-methylpropoxy)propyl]cyclohex-2-en-1-amine
CID 105677420
N-(3-ethoxypropyl)cyclohex-2-en-1-amine
CID 107906462
N-(3-propoxypropyl)cyclohex-2-en-1-amine
CID 107907711
N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine
CID 107908228
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
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

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine (CID 115742302) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine is C1=CC(NCC2=CCCOC2)CCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine?
The InChIKey is XFYMKGHDCDMFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-6-12(7-3-1)13-9-11-5-4-8-14-10-11/h2,5-6,12-13H,1,3-4,7-10H2.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohex-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.03, 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)cyclohex-2-en-1-amine is sourced from PubChem (CID 115742302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).