N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine

C15H32N2 — CID 79619526

IUPACN-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESC=C(C)CN(CC)CC(C)(C)CNCC(C)C
InChIInChI=1S/C15H32N2/c1-8-17(10-14(4)5)12-15(6,7)11-16-9-13(2)3/h13,16H,4,8-12H2,1-3,5-7H3
InChIKeyXQBZNEJBUIGBLK-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.16
Rot. Bonds9

About N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine

N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 79619526) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID79619526
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESC=C(C)CN(CC)CC(C)(C)CNCC(C)C
InChIInChI=1S/C15H32N2/c1-8-17(10-14(4)5)12-15(6,7)11-16-9-13(2)3/h13,16H,4,8-12H2,1-3,5-7H3
InChIKeyXQBZNEJBUIGBLK-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
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 N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine (CID 79619526) is N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine is C=C(C)CN(CC)CC(C)(C)CNCC(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is XQBZNEJBUIGBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-8-17(10-14(4)5)12-15(6,7)11-16-9-13(2)3/h13,16H,4,8-12H2,1-3,5-7H3.
What are the key properties of N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine?
N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 79619526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).