N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine

C15H27NO — CID 152710739

IUPACN-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine
SMILESCC1(C)CC(NCCC2CCCCC2)C=CO1
InChIInChI=1S/C15H27NO/c1-15(2)12-14(9-11-17-15)16-10-8-13-6-4-3-5-7-13/h9,11,13-14,16H,3-8,10,12H2,1-2H3
InChIKeyZTNWHRUDUOJFDN-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.63
Rot. Bonds4

About N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine

N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine (PubChem CID 152710739) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine
PubChem CID152710739
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine
SMILESCC1(C)CC(NCCC2CCCCC2)C=CO1
InChIInChI=1S/C15H27NO/c1-15(2)12-14(9-11-17-15)16-10-8-13-6-4-3-5-7-13/h9,11,13-14,16H,3-8,10,12H2,1-2H3
InChIKeyZTNWHRUDUOJFDN-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine?
The IUPAC name of N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine (CID 152710739) is N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine is CC1(C)CC(NCCC2CCCCC2)C=CO1.
What is the InChIKey of N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine?
The InChIKey is ZTNWHRUDUOJFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-15(2)12-14(9-11-17-15)16-10-8-13-6-4-3-5-7-13/h9,11,13-14,16H,3-8,10,12H2,1-2H3.
What are the key properties of N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine?
N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine has a molecular weight of 237.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2,2-dimethyl-3,4-dihydropyran-4-amine is sourced from PubChem (CID 152710739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).