5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine

C17H31N3 — CID 80630255

IUPAC5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine
SMILESCCCC(C)N(C)c1ncc(CNC(C)(C)C)cc1C
InChIInChI=1S/C17H31N3/c1-8-9-14(3)20(7)16-13(2)10-15(11-18-16)12-19-17(4,5)6/h10-11,14,19H,8-9,12H2,1-7H3
InChIKeyFXNFTKDUDQHCSB-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.90
Rot. Bonds6

About 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine

5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine (PubChem CID 80630255) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine
PubChem CID80630255
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine
SMILESCCCC(C)N(C)c1ncc(CNC(C)(C)C)cc1C
InChIInChI=1S/C17H31N3/c1-8-9-14(3)20(7)16-13(2)10-15(11-18-16)12-19-17(4,5)6/h10-11,14,19H,8-9,12H2,1-7H3
InChIKeyFXNFTKDUDQHCSB-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]propan-2-ol
CID 80635864
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline
CID 63550593
5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62283114
N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine
CID 62278984
5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine
CID 80637510
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582
N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80637710
5-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637359
2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-methylamino]acetamide
CID 80630555
2-[[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
CID 80632065
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
CID 80637533
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 80636496

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine (CID 80630255) is 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine is CCCC(C)N(C)c1ncc(CNC(C)(C)C)cc1C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine?
The InChIKey is FXNFTKDUDQHCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-8-9-14(3)20(7)16-13(2)10-15(11-18-16)12-19-17(4,5)6/h10-11,14,19H,8-9,12H2,1-7H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine?
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine is sourced from PubChem (CID 80630255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).