3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine

C16H29NO — CID 102648836

IUPAC3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCCC1)C1=CCCCO1
InChIInChI=1S/C16H29NO/c1-2-17-15(16-10-6-7-13-18-16)12-11-14-8-4-3-5-9-14/h10,14-15,17H,2-9,11-13H2,1H3
InChIKeyGULWUGWWUJIAPV-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.02
Rot. Bonds6

About 3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine

3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine (PubChem CID 102648836) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine
PubChem CID102648836
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCCC1)C1=CCCCO1
InChIInChI=1S/C16H29NO/c1-2-17-15(16-10-6-7-13-18-16)12-11-14-8-4-3-5-9-14/h10,14-15,17H,2-9,11-13H2,1H3
InChIKeyGULWUGWWUJIAPV-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine (CID 102648836) is 3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine is CCNC(CCC1CCCCC1)C1=CCCCO1.
What is the InChIKey of 3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine?
The InChIKey is GULWUGWWUJIAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-17-15(16-10-6-7-13-18-16)12-11-14-8-4-3-5-9-14/h10,14-15,17H,2-9,11-13H2,1H3.
What are the key properties of 3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine?
3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 102648836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).