4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen

C16H29N3 — CID 144655907

IUPAC4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen
SMILESCN1CCCCC1CNc1cc(C(C)(C)C)ccn1.[H][H]
InChIInChI=1S/C16H27N3.H2/c1-16(2,3)13-8-9-17-15(11-13)18-12-14-7-5-6-10-19(14)4;/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,17,18);1H
InChIKeyZYDBMGXTNZJNRS-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.52
Rot. Bonds3

About 4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen

4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen (PubChem CID 144655907) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen
PubChem CID144655907
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen
SMILESCN1CCCCC1CNc1cc(C(C)(C)C)ccn1.[H][H]
InChIInChI=1S/C16H27N3.H2/c1-16(2,3)13-8-9-17-15(11-13)18-12-14-7-5-6-10-19(14)4;/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,17,18);1H
InChIKeyZYDBMGXTNZJNRS-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106028932
4-tert-butyl-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 126546174
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 63586179
methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate
CID 66285860
tert-butyl 2-[[(4-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 71634391
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 62657745
5-fluoro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026754
2-N-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564704
2-cyclopropyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80962152
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 106028625

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen?
The IUPAC name of 4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen (CID 144655907) is 4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen.
What is the SMILES notation for 4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen?
The canonical SMILES for 4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen is CN1CCCCC1CNc1cc(C(C)(C)C)ccn1.[H][H].
What is the InChIKey of 4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen?
The InChIKey is ZYDBMGXTNZJNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3.H2/c1-16(2,3)13-8-9-17-15(11-13)18-12-14-7-5-6-10-19(14)4;/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,17,18);1H.
What are the key properties of 4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen?
4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen has a molecular weight of 263.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen is sourced from PubChem (CID 144655907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).