2-ethyl-1-N-methylbutane-1,2-diamine

C7H18N2 — CID 21278322

IUPAC2-ethyl-1-N-methylbutane-1,2-diamine
SMILESCCC(N)(CC)CNC
InChIInChI=1S/C7H18N2/c1-4-7(8,5-2)6-9-3/h9H,4-6,8H2,1-3H3
InChIKeyWCYRVWKRULFQIP-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.72
Rot. Bonds4

About 2-ethyl-1-N-methylbutane-1,2-diamine

2-ethyl-1-N-methylbutane-1,2-diamine (PubChem CID 21278322) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-ethyl-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-methylbutane-1,2-diamine
PubChem CID21278322
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name2-ethyl-1-N-methylbutane-1,2-diamine
SMILESCCC(N)(CC)CNC
InChIInChI=1S/C7H18N2/c1-4-7(8,5-2)6-9-3/h9H,4-6,8H2,1-3H3
InChIKeyWCYRVWKRULFQIP-UHFFFAOYSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-methylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-methylbutane-1,2-diamine (CID 21278322) is 2-ethyl-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-methylbutane-1,2-diamine is CCC(N)(CC)CNC.
What is the InChIKey of 2-ethyl-1-N-methylbutane-1,2-diamine?
The InChIKey is WCYRVWKRULFQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-4-7(8,5-2)6-9-3/h9H,4-6,8H2,1-3H3.
What are the key properties of 2-ethyl-1-N-methylbutane-1,2-diamine?
2-ethyl-1-N-methylbutane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 21278322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).