N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine

C18H33N3 — CID 106906400

IUPACN-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)Cc1cccc(CNC(C)(C)C)n1
InChIInChI=1S/C18H33N3/c1-14(2)11-15(3)21(7)13-17-10-8-9-16(20-17)12-19-18(4,5)6/h8-10,14-15,19H,11-13H2,1-7H3
InChIKeyZKVMYMDTFTXVFA-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.84
Rot. Bonds7

About N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine

N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine (PubChem CID 106906400) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine
PubChem CID106906400
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)N(C)Cc1cccc(CNC(C)(C)C)n1
InChIInChI=1S/C18H33N3/c1-14(2)11-15(3)21(7)13-17-10-8-9-16(20-17)12-19-18(4,5)6/h8-10,14-15,19H,11-13H2,1-7H3
InChIKeyZKVMYMDTFTXVFA-UHFFFAOYSA-N
XLogP3.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 106906368
6-[(tert-butylamino)methyl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 62278708
N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 131982469
N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905994
N-[[6-(butan-2-yloxymethyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908055
2-methyl-N-[[6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905820
2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906865
N-methyl-N-[[6-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]pentan-3-amine
CID 106905878
N-[[6-[[cyclobutylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106906442
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
CID 106905884
N-[[6-[2-(diethylamino)ethoxymethyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908088

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine (CID 106906400) is N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine is CC(C)CC(C)N(C)Cc1cccc(CNC(C)(C)C)n1.
What is the InChIKey of N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine?
The InChIKey is ZKVMYMDTFTXVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-14(2)11-15(3)21(7)13-17-10-8-9-16(20-17)12-19-18(4,5)6/h8-10,14-15,19H,11-13H2,1-7H3.
What are the key properties of N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine?
N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 106906400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).