N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

C18H33N3 — CID 62256830

IUPACN-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(C)Cc1cccnc1
InChIInChI=1S/C18H33N3/c1-7-10-18(5,14-20-17(2,3)4)15-21(6)13-16-9-8-11-19-12-16/h8-9,11-12,20H,7,10,13-15H2,1-6H3
InChIKeyXSPDXYRDENPHMU-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.71
Rot. Bonds8

About N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine

N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (PubChem CID 62256830) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
PubChem CID62256830
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCCCC(C)(CNC(C)(C)C)CN(C)Cc1cccnc1
InChIInChI=1S/C18H33N3/c1-7-10-18(5,14-20-17(2,3)4)15-21(6)13-16-9-8-11-19-12-16/h8-9,11-12,20H,7,10,13-15H2,1-6H3
InChIKeyXSPDXYRDENPHMU-UHFFFAOYSA-N
XLogP3.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256998
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal
CID 62276200
N,N',2-trimethyl-N'-[(3-methylphenyl)methyl]-2-propylpropane-1,3-diamine
CID 62271541
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
2-methyl-N-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62256483
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine (CID 62256830) is N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is CCCC(C)(CNC(C)(C)C)CN(C)Cc1cccnc1.
What is the InChIKey of N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is XSPDXYRDENPHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-7-10-18(5,14-20-17(2,3)4)15-21(6)13-16-9-8-11-19-12-16/h8-9,11-12,20H,7,10,13-15H2,1-6H3.
What are the key properties of N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine?
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62256830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).