N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine

C18H37NO — CID 167218317

IUPACN-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine
SMILESCCC(C)(C)CC(C)(C)CCC(C)(C)CNC1OC1C
InChIInChI=1S/C18H37NO/c1-9-16(3,4)12-17(5,6)10-11-18(7,8)13-19-15-14(2)20-15/h14-15,19H,9-13H2,1-8H3
InChIKeyHJOGXDKHXWFYCF-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.98
Rot. Bonds9

About N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine

N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine (PubChem CID 167218317) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine.

Molecular Properties

Compound NameN-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine
PubChem CID167218317
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine
SMILESCCC(C)(C)CC(C)(C)CCC(C)(C)CNC1OC1C
InChIInChI=1S/C18H37NO/c1-9-16(3,4)12-17(5,6)10-11-18(7,8)13-19-15-14(2)20-15/h14-15,19H,9-13H2,1-8H3
InChIKeyHJOGXDKHXWFYCF-UHFFFAOYSA-N
XLogP4.98
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine?
The IUPAC name of N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine (CID 167218317) is N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine.
What is the SMILES notation for N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine?
The canonical SMILES for N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine is CCC(C)(C)CC(C)(C)CCC(C)(C)CNC1OC1C.
What is the InChIKey of N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine?
The InChIKey is HJOGXDKHXWFYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-9-16(3,4)12-17(5,6)10-11-18(7,8)13-19-15-14(2)20-15/h14-15,19H,9-13H2,1-8H3.
What are the key properties of N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine?
N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5,5,7,7-hexamethylnonyl)-3-methyloxiran-2-amine is sourced from PubChem (CID 167218317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).