4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine

C14H25N3O — CID 106675556

IUPAC4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)N(C)Cc1cccnc1
InChIInChI=1S/C14H25N3O/c1-14(2,18-4)8-13(9-15)17(3)11-12-6-5-7-16-10-12/h5-7,10,13H,8-9,11,15H2,1-4H3
InChIKeyVRFJWJHQOURGQJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.66
Rot. Bonds7

About 4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine

4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine (PubChem CID 106675556) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
PubChem CID106675556
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)N(C)Cc1cccnc1
InChIInChI=1S/C14H25N3O/c1-14(2,18-4)8-13(9-15)17(3)11-12-6-5-7-16-10-12/h5-7,10,13H,8-9,11,15H2,1-4H3
InChIKeyVRFJWJHQOURGQJ-UHFFFAOYSA-N
XLogP1.66
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
2-N-methyl-4-methylsulfanyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 60811396
1-N-tert-butyl-3-methoxy-2-N-methyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 103225728
N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563212
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563265
N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986235
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 112709140
(6-methoxy-6-methyl-1-pyridin-3-ylheptan-3-yl)hydrazine
CID 103026633
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 63067935
2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 43563291
1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62085053

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine (CID 106675556) is 4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine is COC(C)(C)CC(CN)N(C)Cc1cccnc1.
What is the InChIKey of 4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine?
The InChIKey is VRFJWJHQOURGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,18-4)8-13(9-15)17(3)11-12-6-5-7-16-10-12/h5-7,10,13H,8-9,11,15H2,1-4H3.
What are the key properties of 4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine?
4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N,4-dimethyl-2-N-(pyridin-3-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 106675556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).