5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine

C13H21N3 — CID 80630561

IUPAC5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CN)cnc1N(C)C(C)C1CC1
InChIInChI=1S/C13H21N3/c1-9-6-11(7-14)8-15-13(9)16(3)10(2)12-4-5-12/h6,8,10,12H,4-5,7,14H2,1-3H3
InChIKeyLVVYBPSWIJZJLW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.08
Rot. Bonds4

About 5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine

5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine (PubChem CID 80630561) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine
PubChem CID80630561
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CN)cnc1N(C)C(C)C1CC1
InChIInChI=1S/C13H21N3/c1-9-6-11(7-14)8-15-13(9)16(3)10(2)12-4-5-12/h6,8,10,12H,4-5,7,14H2,1-3H3
InChIKeyLVVYBPSWIJZJLW-UHFFFAOYSA-N
XLogP2.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine (CID 80630561) is 5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine is Cc1cc(CN)cnc1N(C)C(C)C1CC1.
What is the InChIKey of 5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine?
The InChIKey is LVVYBPSWIJZJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-6-11(7-14)8-15-13(9)16(3)10(2)12-4-5-12/h6,8,10,12H,4-5,7,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine?
5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80630561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).