N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine

C12H18N2 — CID 130892336

IUPACN-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine
SMILESC=CC(C)(C)CNc1ncccc1C
InChIInChI=1S/C12H18N2/c1-5-12(3,4)9-14-11-10(2)7-6-8-13-11/h5-8H,1,9H2,2-4H3,(H,13,14)
InChIKeyJDYODASHDJAJGH-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.01
Rot. Bonds4

About N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine

N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine (PubChem CID 130892336) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine
PubChem CID130892336
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine
SMILESC=CC(C)(C)CNc1ncccc1C
InChIInChI=1S/C12H18N2/c1-5-12(3,4)9-14-11-10(2)7-6-8-13-11/h5-8H,1,9H2,2-4H3,(H,13,14)
InChIKeyJDYODASHDJAJGH-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(3-methyl-2-pyridinyl)amino]propan-2-ol
CID 65109200
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528214
3-methyl-N-[(3-methylfuran-2-yl)methyl]pyridin-2-amine
CID 115735488
4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
CID 106253494
3-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 60960877
2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
3-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 63966599
2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine
CID 66106814
N-[(4-ethylphenyl)methyl]-3-methylpyridin-2-amine
CID 82679621
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
3-methyl-2-prop-2-enylpyridine
CID 18185591

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine?
The IUPAC name of N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine (CID 130892336) is N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine?
The canonical SMILES for N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine is C=CC(C)(C)CNc1ncccc1C.
What is the InChIKey of N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine?
The InChIKey is JDYODASHDJAJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-12(3,4)9-14-11-10(2)7-6-8-13-11/h5-8H,1,9H2,2-4H3,(H,13,14).
What are the key properties of N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine?
N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine has a molecular weight of 190.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbut-3-enyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 130892336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).