N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine

C17H34N2O — CID 28549759

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C17H34N2O/c1-4-5-15-6-8-16(9-7-15)18-14-17(2,3)19-10-12-20-13-11-19/h15-16,18H,4-14H2,1-3H3
InChIKeyBMPCBQSEFAMKPC-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds6

About N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine

N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine (PubChem CID 28549759) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
PubChem CID28549759
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C17H34N2O/c1-4-5-15-6-8-16(9-7-15)18-14-17(2,3)19-10-12-20-13-11-19/h15-16,18H,4-14H2,1-3H3
InChIKeyBMPCBQSEFAMKPC-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine (CID 28549759) is N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine is CCCC1CCC(NCC(C)(C)N2CCOCC2)CC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine?
The InChIKey is BMPCBQSEFAMKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-5-15-6-8-16(9-7-15)18-14-17(2,3)19-10-12-20-13-11-19/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine?
N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 28549759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).