2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine

C13H21N3O — CID 114134123

IUPAC2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1cccnc1NCC(C)N(C)C1CC1
InChIInChI=1S/C13H21N3O/c1-10(16(2)11-6-7-11)9-15-13-12(17-3)5-4-8-14-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyFPKLIBXALUAIOO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.98
Rot. Bonds6

About 2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine

2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine (PubChem CID 114134123) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine
PubChem CID114134123
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine
SMILESCOc1cccnc1NCC(C)N(C)C1CC1
InChIInChI=1S/C13H21N3O/c1-10(16(2)11-6-7-11)9-15-13-12(17-3)5-4-8-14-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyFPKLIBXALUAIOO-UHFFFAOYSA-N
XLogP1.98
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(2-phenylpropyl)pyridin-2-amine
CID 113430232
N-(1-cyclopropylethyl)-3-methoxypyridin-2-amine
CID 115923060
3-methoxy-N-pentan-2-ylpyridin-2-amine
CID 115923066
5-[(3-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 106128585
3-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 83833834
N-(3-cyclopentylpropyl)-3-methoxypyridin-2-amine
CID 114137239
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
N-[(4-ethylphenyl)methyl]-3-methoxypyridin-2-amine
CID 103872142
2-N-cyclopropyl-2-N-methyl-1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 114133382
N-(1-cyclohexylpropyl)-3-methoxypyridin-2-amine
CID 113370900
2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine
CID 114133019
N'-(3-methoxy-2-pyridinyl)-2-methylpentane-1,5-diamine
CID 106155329

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine (CID 114134123) is 2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine is COc1cccnc1NCC(C)N(C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is FPKLIBXALUAIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(16(2)11-6-7-11)9-15-13-12(17-3)5-4-8-14-13/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,14,15).
What are the key properties of 2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine?
2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 114134123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).