N-but-3-enyl-5-tert-butylpyridin-2-amine

C13H20N2 — CID 107874874

IUPACN-but-3-enyl-5-tert-butylpyridin-2-amine
SMILESC=CCCNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H20N2/c1-5-6-9-14-12-8-7-11(10-15-12)13(2,3)4/h5,7-8,10H,1,6,9H2,2-4H3,(H,14,15)
InChIKeyGXQZEUAJXBWKKZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.37
Rot. Bonds4

About N-but-3-enyl-5-tert-butylpyridin-2-amine

N-but-3-enyl-5-tert-butylpyridin-2-amine (PubChem CID 107874874) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-but-3-enyl-5-tert-butylpyridin-2-amine.

Molecular Properties

Compound NameN-but-3-enyl-5-tert-butylpyridin-2-amine
PubChem CID107874874
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-but-3-enyl-5-tert-butylpyridin-2-amine
SMILESC=CCCNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H20N2/c1-5-6-9-14-12-8-7-11(10-15-12)13(2,3)4/h5,7-8,10H,1,6,9H2,2-4H3,(H,14,15)
InChIKeyGXQZEUAJXBWKKZ-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 114011601
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 107874695
5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 107874830
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571
3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol
CID 107874744
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 107874875
5-tert-butyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridin-2-amine
CID 107874725
5-tert-butyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 107874553
N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107875191
N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine
CID 107875193
5-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)pyridin-2-amine
CID 107875611

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-5-tert-butylpyridin-2-amine?
The IUPAC name of N-but-3-enyl-5-tert-butylpyridin-2-amine (CID 107874874) is N-but-3-enyl-5-tert-butylpyridin-2-amine.
What is the SMILES notation for N-but-3-enyl-5-tert-butylpyridin-2-amine?
The canonical SMILES for N-but-3-enyl-5-tert-butylpyridin-2-amine is C=CCCNc1ccc(C(C)(C)C)cn1.
What is the InChIKey of N-but-3-enyl-5-tert-butylpyridin-2-amine?
The InChIKey is GXQZEUAJXBWKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-6-9-14-12-8-7-11(10-15-12)13(2,3)4/h5,7-8,10H,1,6,9H2,2-4H3,(H,14,15).
What are the key properties of N-but-3-enyl-5-tert-butylpyridin-2-amine?
N-but-3-enyl-5-tert-butylpyridin-2-amine has a molecular weight of 204.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-5-tert-butylpyridin-2-amine is sourced from PubChem (CID 107874874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).