N-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine

C18H36N2O — CID 65087166

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C18H36N2O/c1-15(2)16-6-5-7-17(9-8-16)19-14-18(3,4)20-10-12-21-13-11-20/h15-17,19H,5-14H2,1-4H3
InChIKeyUDSVXUAFXZBZEB-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds5

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

N-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65087166) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65087166
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C18H36N2O/c1-15(2)16-6-5-7-17(9-8-16)19-14-18(3,4)20-10-12-21-13-11-20/h15-17,19H,5-14H2,1-4H3
InChIKeyUDSVXUAFXZBZEB-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
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-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine (CID 65087166) is N-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(NCC(C)(C)N2CCOCC2)CC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is UDSVXUAFXZBZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-15(2)16-6-5-7-17(9-8-16)19-14-18(3,4)20-10-12-21-13-11-20/h15-17,19H,5-14H2,1-4H3.
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine?
N-(2-methyl-2-morpholin-4-ylpropyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 5 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-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65087166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).