1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine

C15H27N3O — CID 103225728

IUPAC1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESCOCC(CNC(C)(C)C)N(C)Cc1cccnc1
InChIInChI=1S/C15H27N3O/c1-15(2,3)17-10-14(12-19-5)18(4)11-13-7-6-8-16-9-13/h6-9,14,17H,10-12H2,1-5H3
InChIKeyFSVWZMZKXHPUFX-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.92
Rot. Bonds7

About 1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine

1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine (PubChem CID 103225728) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
PubChem CID103225728
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESCOCC(CNC(C)(C)C)N(C)Cc1cccnc1
InChIInChI=1S/C15H27N3O/c1-15(2,3)17-10-14(12-19-5)18(4)11-13-7-6-8-16-9-13/h6-9,14,17H,10-12H2,1-5H3
InChIKeyFSVWZMZKXHPUFX-UHFFFAOYSA-N
XLogP1.92
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 106675556
N-(3-methoxy-2-pyridin-3-yloxypropyl)-2-methylpropan-2-amine
CID 103228028
2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
CID 62424737
2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225288
1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 62432857
1-N-ethyl-3-N-methyl-3-N-(pyridin-3-ylmethyl)butane-1,3-diamine
CID 62431967
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020
2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 62432321
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-2-amine
CID 81023850
1-N-tert-butyl-2-N-[3-(dimethylamino)propyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226630

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine (CID 103225728) is 1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine is COCC(CNC(C)(C)C)N(C)Cc1cccnc1.
What is the InChIKey of 1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The InChIKey is FSVWZMZKXHPUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-15(2,3)17-10-14(12-19-5)18(4)11-13-7-6-8-16-9-13/h6-9,14,17H,10-12H2,1-5H3.
What are the key properties of 1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 103225728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).