3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine

C12H19N3 — CID 104624549

IUPAC3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccncc1CNCC1CC1
InChIInChI=1S/C12H19N3/c1-15(2)12-5-6-13-8-11(12)9-14-7-10-3-4-10/h5-6,8,10,14H,3-4,7,9H2,1-2H3
InChIKeyQLSSQMLBNXYSAY-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.65
Rot. Bonds5

About 3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine

3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine (PubChem CID 104624549) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine.

Molecular Properties

Compound Name3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine
PubChem CID104624549
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine
SMILESCN(C)c1ccncc1CNCC1CC1
InChIInChI=1S/C12H19N3/c1-15(2)12-5-6-13-8-11(12)9-14-7-10-3-4-10/h5-6,8,10,14H,3-4,7,9H2,1-2H3
InChIKeyQLSSQMLBNXYSAY-UHFFFAOYSA-N
XLogP1.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine?
The IUPAC name of 3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine (CID 104624549) is 3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine.
What is the SMILES notation for 3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine?
The canonical SMILES for 3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine is CN(C)c1ccncc1CNCC1CC1.
What is the InChIKey of 3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine?
The InChIKey is QLSSQMLBNXYSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15(2)12-5-6-13-8-11(12)9-14-7-10-3-4-10/h5-6,8,10,14H,3-4,7,9H2,1-2H3.
What are the key properties of 3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine?
3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine has a molecular weight of 205.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine is sourced from PubChem (CID 104624549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).