1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine

C12H19N3 — CID 177040739

IUPAC1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine
SMILESCC/C=C(C)\N=c1/cc(C)c(N)cn1C
InChIInChI=1S/C12H19N3/c1-5-6-10(3)14-12-7-9(2)11(13)8-15(12)4/h6-8H,5,13H2,1-4H3/b10-6-,14-12+
InChIKeyNJSKDUMZWNTCKQ-NVWBTOBJSA-N
MW205.30 g/mol
LogP2.13
Rot. Bonds2

About 1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine

1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine (PubChem CID 177040739) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine.

Molecular Properties

Compound Name1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine
PubChem CID177040739
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine
SMILESCC/C=C(C)\N=c1/cc(C)c(N)cn1C
InChIInChI=1S/C12H19N3/c1-5-6-10(3)14-12-7-9(2)11(13)8-15(12)4/h6-8H,5,13H2,1-4H3/b10-6-,14-12+
InChIKeyNJSKDUMZWNTCKQ-NVWBTOBJSA-N
XLogP2.13
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine?
The IUPAC name of 1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine (CID 177040739) is 1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine.
What is the SMILES notation for 1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine?
The canonical SMILES for 1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine is CC/C=C(C)\N=c1/cc(C)c(N)cn1C.
What is the InChIKey of 1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine?
The InChIKey is NJSKDUMZWNTCKQ-NVWBTOBJSA-N. The full InChI is InChI=1S/C12H19N3/c1-5-6-10(3)14-12-7-9(2)11(13)8-15(12)4/h6-8H,5,13H2,1-4H3/b10-6-,14-12+.
What are the key properties of 1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine?
1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-[(Z)-pent-2-en-2-yl]iminopyridin-3-amine is sourced from PubChem (CID 177040739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).