1-N'-(2-methylpropyl)ethane-1,1-diamine

C6H16N2 — CID 90182021

IUPAC1-N'-(2-methylpropyl)ethane-1,1-diamine
SMILESCC(C)CNC(C)N
InChIInChI=1S/C6H16N2/c1-5(2)4-8-6(3)7/h5-6,8H,4,7H2,1-3H3
InChIKeyLZKSTLZTBQJTKJ-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.54
Rot. Bonds3

About 1-N'-(2-methylpropyl)ethane-1,1-diamine

1-N'-(2-methylpropyl)ethane-1,1-diamine (PubChem CID 90182021) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 1-N'-(2-methylpropyl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(2-methylpropyl)ethane-1,1-diamine
PubChem CID90182021
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name1-N'-(2-methylpropyl)ethane-1,1-diamine
SMILESCC(C)CNC(C)N
InChIInChI=1S/C6H16N2/c1-5(2)4-8-6(3)7/h5-6,8H,4,7H2,1-3H3
InChIKeyLZKSTLZTBQJTKJ-UHFFFAOYSA-N
XLogP0.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N'-(2-methylpropyl)ethane-1,1-diamine with MolForge

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

Launch Full Analysis

Related Compounds

(2-Methylpropyl)(propyl)amine
CID 520943
N~1~-(3-Aminopropyl)propane-1,1-diamine
CID 23104344
Butane, 1-aminopropylamino-
CID 22184083
N,N'-bis(3-aminoethyl)-1,3-propanediamine
CID 19755984
1-Aminodipropylamine
CID 22184084
1-N'-(1-aminopropyl)propane-1,1-diamine
CID 22497403
N-(7-aminopropyl)tetramethylene diamine
CID 87162705
amino-N-methyldipropylamine
CID 87280277
3,5-Diaza-octane
CID 89149849
Bis-aminopropyl tetramethylene diamine
CID 129722592
1,3-Diethylamino-propylamine
CID 129779563
N-(3-dimethylethylaminopropyl)-N'-ethylcarbodiimide hydrochloride
CID 140251623

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-methylpropyl)ethane-1,1-diamine?
The IUPAC name of 1-N'-(2-methylpropyl)ethane-1,1-diamine (CID 90182021) is 1-N'-(2-methylpropyl)ethane-1,1-diamine.
What is the SMILES notation for 1-N'-(2-methylpropyl)ethane-1,1-diamine?
The canonical SMILES for 1-N'-(2-methylpropyl)ethane-1,1-diamine is CC(C)CNC(C)N.
What is the InChIKey of 1-N'-(2-methylpropyl)ethane-1,1-diamine?
The InChIKey is LZKSTLZTBQJTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-5(2)4-8-6(3)7/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 1-N'-(2-methylpropyl)ethane-1,1-diamine?
1-N'-(2-methylpropyl)ethane-1,1-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-methylpropyl)ethane-1,1-diamine is sourced from PubChem (CID 90182021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).