3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine

C14H25NO — CID 102647581

IUPAC3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine
SMILESCC1(C)CCC(C(N)C2=CCCCO2)CC1
InChIInChI=1S/C14H25NO/c1-14(2)8-6-11(7-9-14)13(15)12-5-3-4-10-16-12/h5,11,13H,3-4,6-10,15H2,1-2H3
InChIKeyJLFIAJMISNZHSA-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.22
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine

3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine (PubChem CID 102647581) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine
PubChem CID102647581
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine
SMILESCC1(C)CCC(C(N)C2=CCCCO2)CC1
InChIInChI=1S/C14H25NO/c1-14(2)8-6-11(7-9-14)13(15)12-5-3-4-10-16-12/h5,11,13H,3-4,6-10,15H2,1-2H3
InChIKeyJLFIAJMISNZHSA-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102649150
3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102649495
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102649506
2,3-Dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102653422
3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 113720519
3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 113720576
5,5-Dimethyl-3-(oxan-4-ylmethyl)cyclohex-2-en-1-amine
CID 65177414
5,5-Dimethyl-3-(oxan-4-yl)cyclohex-2-en-1-amine
CID 65177524
3-(3-Ethoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65178070
5,5-Dimethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohex-2-en-1-amine
CID 79923645
cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647140
1-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647213

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine (CID 102647581) is 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine is CC1(C)CCC(C(N)C2=CCCCO2)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine?
The InChIKey is JLFIAJMISNZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2)8-6-11(7-9-14)13(15)12-5-3-4-10-16-12/h5,11,13H,3-4,6-10,15H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine has a molecular weight of 223.36 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 102647581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).