1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine

C14H25N3O — CID 81059160

IUPAC1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine
SMILESCC(C)OCCN(C)C(c1cccnc1)C(C)N
InChIInChI=1S/C14H25N3O/c1-11(2)18-9-8-17(4)14(12(3)15)13-6-5-7-16-10-13/h5-7,10-12,14H,8-9,15H2,1-4H3
InChIKeyITNCVXJXIICXAR-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.83
Rot. Bonds7

About 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine

1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine (PubChem CID 81059160) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine
PubChem CID81059160
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine
SMILESCC(C)OCCN(C)C(c1cccnc1)C(C)N
InChIInChI=1S/C14H25N3O/c1-11(2)18-9-8-17(4)14(12(3)15)13-6-5-7-16-10-13/h5-7,10-12,14H,8-9,15H2,1-4H3
InChIKeyITNCVXJXIICXAR-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
CID 21156680
1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 107869311
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
CID 112657794
1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 55017455
2-N-methyl-1-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055828
2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide
CID 62923105
1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
CID 55061112
1-N-methyl-1-pyridin-3-yl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79476253
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55142037
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
CID 65483700
4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid
CID 154943553

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine (CID 81059160) is 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine is CC(C)OCCN(C)C(c1cccnc1)C(C)N.
What is the InChIKey of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine?
The InChIKey is ITNCVXJXIICXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)18-9-8-17(4)14(12(3)15)13-6-5-7-16-10-13/h5-7,10-12,14H,8-9,15H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine?
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine is sourced from PubChem (CID 81059160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).