5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine

C14H23N3 — CID 62183710

IUPAC5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCCCCN(Cc1ccc(NC)nc1)C1CC1
InChIInChI=1S/C14H23N3/c1-3-4-9-17(13-6-7-13)11-12-5-8-14(15-2)16-10-12/h5,8,10,13H,3-4,6-7,9,11H2,1-2H3,(H,15,16)
InChIKeyXLDIBTBMVMWVOM-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.89
Rot. Bonds7

About 5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine

5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine (PubChem CID 62183710) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine
PubChem CID62183710
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCCCCN(Cc1ccc(NC)nc1)C1CC1
InChIInChI=1S/C14H23N3/c1-3-4-9-17(13-6-7-13)11-12-5-8-14(15-2)16-10-12/h5,8,10,13H,3-4,6-7,9,11H2,1-2H3,(H,15,16)
InChIKeyXLDIBTBMVMWVOM-UHFFFAOYSA-N
XLogP2.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine (CID 62183710) is 5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine is CCCCN(Cc1ccc(NC)nc1)C1CC1.
What is the InChIKey of 5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine?
The InChIKey is XLDIBTBMVMWVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-4-9-17(13-6-7-13)11-12-5-8-14(15-2)16-10-12/h5,8,10,13H,3-4,6-7,9,11H2,1-2H3,(H,15,16).
What are the key properties of 5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine?
5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62183710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).