N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine

C10H22N2 — CID 77110157

IUPACN'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine
SMILESCCC(C)CN(C)CC=CCN
InChIInChI=1S/C10H22N2/c1-4-10(2)9-12(3)8-6-5-7-11/h5-6,10H,4,7-9,11H2,1-3H3
InChIKeyYOCKMGYEYGKKOK-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.48
Rot. Bonds6

About N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine

N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine (PubChem CID 77110157) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine
PubChem CID77110157
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine
SMILESCCC(C)CN(C)CC=CCN
InChIInChI=1S/C10H22N2/c1-4-10(2)9-12(3)8-6-5-7-11/h5-6,10H,4,7-9,11H2,1-3H3
InChIKeyYOCKMGYEYGKKOK-UHFFFAOYSA-N
XLogP1.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.48
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'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine?
The IUPAC name of N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine (CID 77110157) is N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine is CCC(C)CN(C)CC=CCN.
What is the InChIKey of N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine?
The InChIKey is YOCKMGYEYGKKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-10(2)9-12(3)8-6-5-7-11/h5-6,10H,4,7-9,11H2,1-3H3.
What are the key properties of N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine?
N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methylbutyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 77110157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).