N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine

C13H21N3O — CID 63591133

IUPACN'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
SMILESCCOc1cccc(NCCN(C)C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-3-17-13-6-4-5-12(15-13)14-9-10-16(2)11-7-8-11/h4-6,11H,3,7-10H2,1-2H3,(H,14,15)
InChIKeyPYLNXLJCPIQQKG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.99
Rot. Bonds7

About N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine (PubChem CID 63591133) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
PubChem CID63591133
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
SMILESCCOc1cccc(NCCN(C)C2CC2)n1
InChIInChI=1S/C13H21N3O/c1-3-17-13-6-4-5-12(15-13)14-9-10-16(2)11-7-8-11/h4-6,11H,3,7-10H2,1-2H3,(H,14,15)
InChIKeyPYLNXLJCPIQQKG-UHFFFAOYSA-N
XLogP1.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
N-(cyclobutylmethyl)-6-ethoxypyridin-2-amine
CID 63590749
6-ethoxy-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 63589706
N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63587094
6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 64594113
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823019
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
6-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63591478
6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 80871017
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine (CID 63591133) is N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine is CCOc1cccc(NCCN(C)C2CC2)n1.
What is the InChIKey of N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine?
The InChIKey is PYLNXLJCPIQQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-17-13-6-4-5-12(15-13)14-9-10-16(2)11-7-8-11/h4-6,11H,3,7-10H2,1-2H3,(H,14,15).
What are the key properties of N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63591133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).