(2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane

C12H22N2 — CID 176660746

IUPAC(2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane
SMILESCC.CC/C(C)=C1\C=CC=CN1NC
InChIInChI=1S/C10H16N2.C2H6/c1-4-9(2)10-7-5-6-8-12(10)11-3;1-2/h5-8,11H,4H2,1-3H3;1-2H3/b10-9+;
InChIKeyNDCWJPBEQCNPCA-RRABGKBLSA-N
MW194.32 g/mol
LogP3.22
Rot. Bonds2

About (2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane

(2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane (PubChem CID 176660746) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane.

Molecular Properties

Compound Name(2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane
PubChem CID176660746
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane
SMILESCC.CC/C(C)=C1\C=CC=CN1NC
InChIInChI=1S/C10H16N2.C2H6/c1-4-9(2)10-7-5-6-8-12(10)11-3;1-2/h5-8,11H,4H2,1-3H3;1-2H3/b10-9+;
InChIKeyNDCWJPBEQCNPCA-RRABGKBLSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-fluoro-N,5-dimethyl-2-methylidenepyridin-1-amine
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3-(difluoromethyl)-N,5-dimethyl-2-methylidenepyridin-1-amine
CID 160896325
N,5-dimethyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 161823292
(5Z,7Z)-2,4,4-trimethyl-3-methylidene-1H-diazocine
CID 57786367
3,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047454
2,5-Dimethyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 58047670
1-Methyl-1-(4-methylbenzene-5-id-1-yl)hydrazine;yttrium
CID 58512384
6-Tert-butyl-1,3a-dihydropyrazolo[1,5-a]pyridine
CID 59640649
N,2-dimethyl-2H-pyridin-1-amine
CID 67204212

Frequently Asked Questions

What is the IUPAC name of (2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane?
The IUPAC name of (2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane (CID 176660746) is (2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane.
What is the SMILES notation for (2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane?
The canonical SMILES for (2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane is CC.CC/C(C)=C1\C=CC=CN1NC.
What is the InChIKey of (2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane?
The InChIKey is NDCWJPBEQCNPCA-RRABGKBLSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-4-9(2)10-7-5-6-8-12(10)11-3;1-2/h5-8,11H,4H2,1-3H3;1-2H3/b10-9+;.
What are the key properties of (2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane?
(2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane has a molecular weight of 194.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butan-2-ylidene-N-methylpyridin-1-amine;ethane is sourced from PubChem (CID 176660746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).