2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine

C18H38N2 — CID 18716552

IUPAC2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine
SMILESC=C(CCCC(C)(N)CC(C)NC)CCC(C)(C)CC
InChIInChI=1S/C18H38N2/c1-8-17(4,5)13-11-15(2)10-9-12-18(6,19)14-16(3)20-7/h16,20H,2,8-14,19H2,1,3-7H3
InChIKeyFOEJEKAERKPJRK-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.64
Rot. Bonds11

About 2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine

2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine (PubChem CID 18716552) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine.

Molecular Properties

Compound Name2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine
PubChem CID18716552
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine
SMILESC=C(CCCC(C)(N)CC(C)NC)CCC(C)(C)CC
InChIInChI=1S/C18H38N2/c1-8-17(4,5)13-11-15(2)10-9-12-18(6,19)14-16(3)20-7/h16,20H,2,8-14,19H2,1,3-7H3
InChIKeyFOEJEKAERKPJRK-UHFFFAOYSA-N
XLogP4.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine?
The IUPAC name of 2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine (CID 18716552) is 2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine.
What is the SMILES notation for 2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine?
The canonical SMILES for 2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine is C=C(CCCC(C)(N)CC(C)NC)CCC(C)(C)CC.
What is the InChIKey of 2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine?
The InChIKey is FOEJEKAERKPJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-8-17(4,5)13-11-15(2)10-9-12-18(6,19)14-16(3)20-7/h16,20H,2,8-14,19H2,1,3-7H3.
What are the key properties of 2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine?
2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine is sourced from PubChem (CID 18716552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).