N-tert-butyl-N-prop-2-enylpyridin-3-amine

C12H18N2 — CID 59409529

IUPACN-tert-butyl-N-prop-2-enylpyridin-3-amine
SMILESC=CCN(c1cccnc1)C(C)(C)C
InChIInChI=1S/C12H18N2/c1-5-9-14(12(2,3)4)11-7-6-8-13-10-11/h5-8,10H,1,9H2,2-4H3
InChIKeyDZGXARDOILYHLA-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.87
Rot. Bonds3

About N-tert-butyl-N-prop-2-enylpyridin-3-amine

N-tert-butyl-N-prop-2-enylpyridin-3-amine (PubChem CID 59409529) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-tert-butyl-N-prop-2-enylpyridin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-N-prop-2-enylpyridin-3-amine
PubChem CID59409529
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-tert-butyl-N-prop-2-enylpyridin-3-amine
SMILESC=CCN(c1cccnc1)C(C)(C)C
InChIInChI=1S/C12H18N2/c1-5-9-14(12(2,3)4)11-7-6-8-13-10-11/h5-8,10H,1,9H2,2-4H3
InChIKeyDZGXARDOILYHLA-UHFFFAOYSA-N
XLogP2.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(prop-2-enyl)pyridin-3-amine
CID 67923314
N-(2-phenylethyl)-N-prop-2-enylpyridin-3-amine
CID 138435785
2-N'-methyl-2-N'-pyridin-3-ylpropane-2,2-diamine
CID 67770440
2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol
CID 115133332
N-prop-2-enyl-N-(trifluoromethyl)aniline
CID 19778773
2-pyridin-3-ylhex-5-en-2-ol
CID 15642446
N,N-dimethylpyridin-3-amine;hydrochloride
CID 23028557
3-[tert-butyl(sulfinato)amino]pyridine
CID 123766222
(E)-4-[methyl(pyridin-3-yl)amino]but-2-enoic acid
CID 115237054
1-phenyl-1-pyridin-3-ylbut-3-en-1-ol
CID 13193271
formaldehyde;1-methyl-1-pyridin-3-ylhydrazine
CID 143631457
methyl-N-(2-oxo-2-pyridin-3-ylethyl)-N-prop-2-enylboronamidic acid
CID 123204278

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-prop-2-enylpyridin-3-amine?
The IUPAC name of N-tert-butyl-N-prop-2-enylpyridin-3-amine (CID 59409529) is N-tert-butyl-N-prop-2-enylpyridin-3-amine.
What is the SMILES notation for N-tert-butyl-N-prop-2-enylpyridin-3-amine?
The canonical SMILES for N-tert-butyl-N-prop-2-enylpyridin-3-amine is C=CCN(c1cccnc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-prop-2-enylpyridin-3-amine?
The InChIKey is DZGXARDOILYHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-9-14(12(2,3)4)11-7-6-8-13-10-11/h5-8,10H,1,9H2,2-4H3.
What are the key properties of N-tert-butyl-N-prop-2-enylpyridin-3-amine?
N-tert-butyl-N-prop-2-enylpyridin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-prop-2-enylpyridin-3-amine is sourced from PubChem (CID 59409529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).