1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine

C13H28N2 — CID 79482589

IUPAC1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine
SMILESCCC(C)CN(CC)C(C)CNC1CC1
InChIInChI=1S/C13H28N2/c1-5-11(3)10-15(6-2)12(4)9-14-13-7-8-13/h11-14H,5-10H2,1-4H3
InChIKeyILWIKBXBVBLXGU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds8

About 1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine

1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine (PubChem CID 79482589) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine
PubChem CID79482589
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine
SMILESCCC(C)CN(CC)C(C)CNC1CC1
InChIInChI=1S/C13H28N2/c1-5-11(3)10-15(6-2)12(4)9-14-13-7-8-13/h11-14H,5-10H2,1-4H3
InChIKeyILWIKBXBVBLXGU-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine (CID 79482589) is 1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine is CCC(C)CN(CC)C(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine?
The InChIKey is ILWIKBXBVBLXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-11(3)10-15(6-2)12(4)9-14-13-7-8-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine?
1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 79482589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).