1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine

C15H27NO — CID 62405209

IUPAC1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCC=CO1)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-2-15(13-8-4-3-5-9-13)16-12-14-10-6-7-11-17-14/h7,11,13-16H,2-6,8-10,12H2,1H3
InChIKeyARLIVDQXBMYVTH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.63
Rot. Bonds5

About 1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine

1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine (PubChem CID 62405209) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
PubChem CID62405209
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine
SMILESCCC(NCC1CCC=CO1)C1CCCCC1
InChIInChI=1S/C15H27NO/c1-2-15(13-8-4-3-5-9-13)16-12-14-10-6-7-11-17-14/h7,11,13-16H,2-6,8-10,12H2,1H3
InChIKeyARLIVDQXBMYVTH-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine (CID 62405209) is 1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine is CCC(NCC1CCC=CO1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine?
The InChIKey is ARLIVDQXBMYVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-15(13-8-4-3-5-9-13)16-12-14-10-6-7-11-17-14/h7,11,13-16H,2-6,8-10,12H2,1H3.
What are the key properties of 1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine?
1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62405209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).