N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C16H29NO — CID 55030544

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCC2CCC=CO2)C1
InChIInChI=1S/C16H29NO/c1-12(2)15-8-7-13(3)10-16(15)17-11-14-6-4-5-9-18-14/h5,9,12-17H,4,6-8,10-11H2,1-3H3
InChIKeyWJARXWMMEJASHE-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.73
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 55030544) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID55030544
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCC2CCC=CO2)C1
InChIInChI=1S/C16H29NO/c1-12(2)15-8-7-13(3)10-16(15)17-11-14-6-4-5-9-18-14/h5,9,12-17H,4,6-8,10-11H2,1-3H3
InChIKeyWJARXWMMEJASHE-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.73
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)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 55030544) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NCC2CCC=CO2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is WJARXWMMEJASHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12(2)15-8-7-13(3)10-16(15)17-11-14-6-4-5-9-18-14/h5,9,12-17H,4,6-8,10-11H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.73, 4 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)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55030544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).