2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine

C16H25N3 — CID 55055081

IUPAC2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
SMILESC=CCN(CC=C)c1ccnc(CNC(C)(C)C)c1
InChIInChI=1S/C16H25N3/c1-6-10-19(11-7-2)15-8-9-17-14(12-15)13-18-16(3,4)5/h6-9,12,18H,1-2,10-11,13H2,3-5H3
InChIKeyRDDABBFXAAPDPJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.15
Rot. Bonds7

About 2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine

2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine (PubChem CID 55055081) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
PubChem CID55055081
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
SMILESC=CCN(CC=C)c1ccnc(CNC(C)(C)C)c1
InChIInChI=1S/C16H25N3/c1-6-10-19(11-7-2)15-8-9-17-14(12-15)13-18-16(3,4)5/h6-9,12,18H,1-2,10-11,13H2,3-5H3
InChIKeyRDDABBFXAAPDPJ-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
CID 63488590
2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine
CID 62283361
2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
CID 62288315
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
CID 103340187
5-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-2-amine
CID 55055083
2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82952467
N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 55070156
2-methyl-N-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285764
4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-oxazol-2-amine
CID 103340178
2-(ethylaminomethyl)-N,N-bis(2-methylpropyl)pyridin-4-amine
CID 62284205
N-[[4-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103539519
N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 62282319

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine (CID 55055081) is 2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine is C=CCN(CC=C)c1ccnc(CNC(C)(C)C)c1.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine?
The InChIKey is RDDABBFXAAPDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-10-19(11-7-2)15-8-9-17-14(12-15)13-18-16(3,4)5/h6-9,12,18H,1-2,10-11,13H2,3-5H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine?
2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine has a molecular weight of 259.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine is sourced from PubChem (CID 55055081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).