2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine

C9H20N2 — CID 80544200

IUPAC2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine
SMILESCC(CCN)CNC1CC1C
InChIInChI=1S/C9H20N2/c1-7(3-4-10)6-11-9-5-8(9)2/h7-9,11H,3-6,10H2,1-2H3
InChIKeyZXUUIWQZMADKRH-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.97
Rot. Bonds5

About 2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine

2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine (PubChem CID 80544200) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine
PubChem CID80544200
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine
SMILESCC(CCN)CNC1CC1C
InChIInChI=1S/C9H20N2/c1-7(3-4-10)6-11-9-5-8(9)2/h7-9,11H,3-6,10H2,1-2H3
InChIKeyZXUUIWQZMADKRH-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine (CID 80544200) is 2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine is CC(CCN)CNC1CC1C.
What is the InChIKey of 2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine?
The InChIKey is ZXUUIWQZMADKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7(3-4-10)6-11-9-5-8(9)2/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine?
2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine has a molecular weight of 156.27 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylcyclopropyl)butane-1,4-diamine is sourced from PubChem (CID 80544200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).