5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine

C18H38N2O — CID 43098159

IUPAC5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine
SMILESCCC(C)CC(CC)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C18H38N2O/c1-6-16(5)13-17(7-2)19-14-18(12-15(3)4)20-8-10-21-11-9-20/h15-19H,6-14H2,1-5H3
InChIKeyWUMNUXJSICPNRS-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.54
Rot. Bonds10

About 5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine

5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine (PubChem CID 43098159) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine
PubChem CID43098159
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine
SMILESCCC(C)CC(CC)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C18H38N2O/c1-6-16(5)13-17(7-2)19-14-18(12-15(3)4)20-8-10-21-11-9-20/h15-19H,6-14H2,1-5H3
InChIKeyWUMNUXJSICPNRS-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine?
The IUPAC name of 5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine (CID 43098159) is 5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine.
What is the SMILES notation for 5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine?
The canonical SMILES for 5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine is CCC(C)CC(CC)NCC(CC(C)C)N1CCOCC1.
What is the InChIKey of 5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine?
The InChIKey is WUMNUXJSICPNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-16(5)13-17(7-2)19-14-18(12-15(3)4)20-8-10-21-11-9-20/h15-19H,6-14H2,1-5H3.
What are the key properties of 5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine?
5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine has a molecular weight of 298.51 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)heptan-3-amine is sourced from PubChem (CID 43098159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).