3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane

C13H27N3 — CID 162183420

IUPAC3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane
SMILESCC.CC(C)(C)C.NCc1cccnc1N
InChIInChI=1S/C6H9N3.C5H12.C2H6/c7-4-5-2-1-3-9-6(5)8;1-5(2,3)4;1-2/h1-3H,4,7H2,(H2,8,9);1-4H3;1-2H3
InChIKeyZPIPTRDDCSGVOT-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.20
Rot. Bonds1

About 3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane

3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane (PubChem CID 162183420) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane.

Molecular Properties

Compound Name3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane
PubChem CID162183420
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane
SMILESCC.CC(C)(C)C.NCc1cccnc1N
InChIInChI=1S/C6H9N3.C5H12.C2H6/c7-4-5-2-1-3-9-6(5)8;1-5(2,3)4;1-2/h1-3H,4,7H2,(H2,8,9);1-4H3;1-2H3
InChIKeyZPIPTRDDCSGVOT-UHFFFAOYSA-N
XLogP3.20
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane?
The IUPAC name of 3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane (CID 162183420) is 3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane.
What is the SMILES notation for 3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane?
The canonical SMILES for 3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane is CC.CC(C)(C)C.NCc1cccnc1N.
What is the InChIKey of 3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane?
The InChIKey is ZPIPTRDDCSGVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.C5H12.C2H6/c7-4-5-2-1-3-9-6(5)8;1-5(2,3)4;1-2/h1-3H,4,7H2,(H2,8,9);1-4H3;1-2H3.
What are the key properties of 3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane?
3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane has a molecular weight of 225.38 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane is sourced from PubChem (CID 162183420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).