6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine

C12H17N3 — CID 62299091

IUPAC6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine
SMILESC=CCN(CC=C)c1cccc(CN)n1
InChIInChI=1S/C12H17N3/c1-3-8-15(9-4-2)12-7-5-6-11(10-13)14-12/h3-7H,1-2,8-10,13H2
InChIKeyLDCILINAYNRIHB-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.72
Rot. Bonds6

About 6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine

6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine (PubChem CID 62299091) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine
PubChem CID62299091
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine
SMILESC=CCN(CC=C)c1cccc(CN)n1
InChIInChI=1S/C12H17N3/c1-3-8-15(9-4-2)12-7-5-6-11(10-13)14-12/h3-7H,1-2,8-10,13H2
InChIKeyLDCILINAYNRIHB-UHFFFAOYSA-N
XLogP1.72
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine?
The IUPAC name of 6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine (CID 62299091) is 6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine.
What is the SMILES notation for 6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine?
The canonical SMILES for 6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine is C=CCN(CC=C)c1cccc(CN)n1.
What is the InChIKey of 6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine?
The InChIKey is LDCILINAYNRIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-8-15(9-4-2)12-7-5-6-11(10-13)14-12/h3-7H,1-2,8-10,13H2.
What are the key properties of 6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine?
6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine has a molecular weight of 203.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N,N-bis(prop-2-enyl)pyridin-2-amine is sourced from PubChem (CID 62299091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).