2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine

C9H20N2 — CID 166808880

IUPAC2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine
SMILESCCC(C)CNC(N)=C(C)C
InChIInChI=1S/C9H20N2/c1-5-8(4)6-11-9(10)7(2)3/h8,11H,5-6,10H2,1-4H3
InChIKeyABVJACWKRQTVGX-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.83
Rot. Bonds4

About 2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine

2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine (PubChem CID 166808880) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine.

Molecular Properties

Compound Name2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine
PubChem CID166808880
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine
SMILESCCC(C)CNC(N)=C(C)C
InChIInChI=1S/C9H20N2/c1-5-8(4)6-11-9(10)7(2)3/h8,11H,5-6,10H2,1-4H3
InChIKeyABVJACWKRQTVGX-UHFFFAOYSA-N
XLogP1.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine?
The IUPAC name of 2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine (CID 166808880) is 2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine.
What is the SMILES notation for 2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine?
The canonical SMILES for 2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine is CCC(C)CNC(N)=C(C)C.
What is the InChIKey of 2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine?
The InChIKey is ABVJACWKRQTVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-8(4)6-11-9(10)7(2)3/h8,11H,5-6,10H2,1-4H3.
What are the key properties of 2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine?
2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine is sourced from PubChem (CID 166808880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).