N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine

C16H36N2 — CID 19830428

IUPACN,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine
SMILESCCCC(C)(C)N(C)CCN(C)C(C)(C)CCC
InChIInChI=1S/C16H36N2/c1-9-11-15(3,4)17(7)13-14-18(8)16(5,6)12-10-2/h9-14H2,1-8H3
InChIKeyQKQBBFMUYCUKAA-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.01
Rot. Bonds9

About N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine

N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine (PubChem CID 19830428) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine
PubChem CID19830428
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC NameN,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine
SMILESCCCC(C)(C)N(C)CCN(C)C(C)(C)CCC
InChIInChI=1S/C16H36N2/c1-9-11-15(3,4)17(7)13-14-18(8)16(5,6)12-10-2/h9-14H2,1-8H3
InChIKeyQKQBBFMUYCUKAA-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine 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 N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine (CID 19830428) is N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine is CCCC(C)(C)N(C)CCN(C)C(C)(C)CCC.
What is the InChIKey of N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine?
The InChIKey is QKQBBFMUYCUKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-9-11-15(3,4)17(7)13-14-18(8)16(5,6)12-10-2/h9-14H2,1-8H3.
What are the key properties of N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine?
N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(2-methylpentan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 19830428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).