1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine

C15H25N3 — CID 62427612

IUPAC1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCCC(CNC1CC1)N(C)CCc1ccncc1
InChIInChI=1S/C15H25N3/c1-3-15(12-17-14-4-5-14)18(2)11-8-13-6-9-16-10-7-13/h6-7,9-10,14-15,17H,3-5,8,11-12H2,1-2H3
InChIKeyIVCZDKGILBIUFU-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.09
Rot. Bonds8

About 1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine

1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine (PubChem CID 62427612) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
PubChem CID62427612
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
SMILESCCC(CNC1CC1)N(C)CCc1ccncc1
InChIInChI=1S/C15H25N3/c1-3-15(12-17-14-4-5-14)18(2)11-8-13-6-9-16-10-7-13/h6-7,9-10,14-15,17H,3-5,8,11-12H2,1-2H3
InChIKeyIVCZDKGILBIUFU-UHFFFAOYSA-N
XLogP2.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine (CID 62427612) is 1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine is CCC(CNC1CC1)N(C)CCc1ccncc1.
What is the InChIKey of 1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
The InChIKey is IVCZDKGILBIUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-15(12-17-14-4-5-14)18(2)11-8-13-6-9-16-10-7-13/h6-7,9-10,14-15,17H,3-5,8,11-12H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine?
1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine is sourced from PubChem (CID 62427612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).