3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine

C17H31N3 — CID 81246169

IUPAC3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine
SMILESCC(C)CC(C)N(C)c1ccncc1CNC(C)(C)C
InChIInChI=1S/C17H31N3/c1-13(2)10-14(3)20(7)16-8-9-18-11-15(16)12-19-17(4,5)6/h8-9,11,13-14,19H,10,12H2,1-7H3
InChIKeyWGCFQDXGPJBPBT-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.84
Rot. Bonds6

About 3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine

3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine (PubChem CID 81246169) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine
PubChem CID81246169
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine
SMILESCC(C)CC(C)N(C)c1ccncc1CNC(C)(C)C
InChIInChI=1S/C17H31N3/c1-13(2)10-14(3)20(7)16-8-9-18-11-15(16)12-19-17(4,5)6/h8-9,11,13-14,19H,10,12H2,1-7H3
InChIKeyWGCFQDXGPJBPBT-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylpentan-2-yl)-3-(propylaminomethyl)pyridin-4-amine
CID 81246240
N-butan-2-yl-N-butyl-3-[(tert-butylamino)methyl]pyridin-4-amine
CID 81253404
3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
CID 81249277
3-[(tert-butylamino)methyl]-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-4-amine
CID 81248000
4-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-3-amine
CID 105072928
4-[(tert-butylamino)methyl]-N-cyclopropyl-N-methylpyridin-3-amine
CID 105072864
N-butan-2-yl-3-(chloromethyl)-N-methylpyridin-4-amine
CID 81238160
3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine
CID 82754061
2-methyl-N-[[4-(3-methylbutan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81251051
1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 81250486
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine?
The IUPAC name of 3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine (CID 81246169) is 3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine?
The canonical SMILES for 3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine is CC(C)CC(C)N(C)c1ccncc1CNC(C)(C)C.
What is the InChIKey of 3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine?
The InChIKey is WGCFQDXGPJBPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13(2)10-14(3)20(7)16-8-9-18-11-15(16)12-19-17(4,5)6/h8-9,11,13-14,19H,10,12H2,1-7H3.
What are the key properties of 3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine?
3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine has a molecular weight of 277.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)pyridin-4-amine is sourced from PubChem (CID 81246169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).