5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine

C18H37NO — CID 19907050

IUPAC5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine
SMILESCC(C)CCCCN(CCCCC(C)C)CC1OC1C
InChIInChI=1S/C18H37NO/c1-15(2)10-6-8-12-19(14-18-17(5)20-18)13-9-7-11-16(3)4/h15-18H,6-14H2,1-5H3
InChIKeyJYGYWQVOUMHPSZ-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.73
Rot. Bonds12

About 5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine

5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine (PubChem CID 19907050) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine
PubChem CID19907050
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine
SMILESCC(C)CCCCN(CCCCC(C)C)CC1OC1C
InChIInChI=1S/C18H37NO/c1-15(2)10-6-8-12-19(14-18-17(5)20-18)13-9-7-11-16(3)4/h15-18H,6-14H2,1-5H3
InChIKeyJYGYWQVOUMHPSZ-UHFFFAOYSA-N
XLogP4.73
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine?
The IUPAC name of 5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine (CID 19907050) is 5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine?
The canonical SMILES for 5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine is CC(C)CCCCN(CCCCC(C)C)CC1OC1C.
What is the InChIKey of 5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine?
The InChIKey is JYGYWQVOUMHPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-15(2)10-6-8-12-19(14-18-17(5)20-18)13-9-7-11-16(3)4/h15-18H,6-14H2,1-5H3.
What are the key properties of 5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine?
5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.73, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methylhexyl)-N-[(3-methyloxiran-2-yl)methyl]hexan-1-amine is sourced from PubChem (CID 19907050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).