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

C7H18N2 — CID 25219283

IUPAC2-N-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CN)N(C)CC
InChIInChI=1S/C7H18N2/c1-4-7(6-8)9(3)5-2/h7H,4-6,8H2,1-3H3
InChIKeyNFEMRESATTWNAD-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.68
Rot. Bonds4

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

2-N-ethyl-2-N-methylbutane-1,2-diamine (PubChem CID 25219283) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is 2-N-ethyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-methylbutane-1,2-diamine
PubChem CID25219283
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name2-N-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CN)N(C)CC
InChIInChI=1S/C7H18N2/c1-4-7(6-8)9(3)5-2/h7H,4-6,8H2,1-3H3
InChIKeyNFEMRESATTWNAD-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-methylbutane-1,2-diamine (CID 25219283) is 2-N-ethyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-methylbutane-1,2-diamine is CCC(CN)N(C)CC.
What is the InChIKey of 2-N-ethyl-2-N-methylbutane-1,2-diamine?
The InChIKey is NFEMRESATTWNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-4-7(6-8)9(3)5-2/h7H,4-6,8H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-methylbutane-1,2-diamine?
2-N-ethyl-2-N-methylbutane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 25219283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).