2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine

C12H26N2 — CID 43568950

IUPAC2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)C(C)C1CC1
InChIInChI=1S/C12H26N2/c1-5-12(6-2,9-13)14(4)10(3)11-7-8-11/h10-11H,5-9,13H2,1-4H3
InChIKeyQTWLDLGPUBPKNB-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds6

About 2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine

2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine (PubChem CID 43568950) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
PubChem CID43568950
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)C(C)C1CC1
InChIInChI=1S/C12H26N2/c1-5-12(6-2,9-13)14(4)10(3)11-7-8-11/h10-11H,5-9,13H2,1-4H3
InChIKeyQTWLDLGPUBPKNB-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine (CID 43568950) is 2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine is CCC(CC)(CN)N(C)C(C)C1CC1.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine?
The InChIKey is QTWLDLGPUBPKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-12(6-2,9-13)14(4)10(3)11-7-8-11/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine?
2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-2-ethyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 43568950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).