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

C15H27NO — CID 62065468

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H27NO/c1-2-5-13-7-9-14(10-8-13)16-12-15-6-3-4-11-17-15/h4,11,13-16H,2-3,5-10,12H2,1H3
InChIKeyXXJNWQGJVIPRIK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.63
Rot. Bonds5

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine (PubChem CID 62065468) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine
PubChem CID62065468
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H27NO/c1-2-5-13-7-9-14(10-8-13)16-12-15-6-3-4-11-17-15/h4,11,13-16H,2-3,5-10,12H2,1H3
InChIKeyXXJNWQGJVIPRIK-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 N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine (CID 62065468) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine is CCCC1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine?
The InChIKey is XXJNWQGJVIPRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-5-13-7-9-14(10-8-13)16-12-15-6-3-4-11-17-15/h4,11,13-16H,2-3,5-10,12H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-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 N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62065468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).