N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine

C13H21N3O — CID 114937000

IUPACN-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1ccc(OC)nc1
InChIInChI=1S/C13H21N3O/c1-3-16(11-5-6-11)12(8-14)10-4-7-13(17-2)15-9-10/h4,7,9,11-12H,3,5-6,8,14H2,1-2H3
InChIKeyWLAARYANPKLQFJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds6

About N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine

N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine (PubChem CID 114937000) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
PubChem CID114937000
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCCN(C1CC1)C(CN)c1ccc(OC)nc1
InChIInChI=1S/C13H21N3O/c1-3-16(11-5-6-11)12(8-14)10-4-7-13(17-2)15-9-10/h4,7,9,11-12H,3,5-6,8,14H2,1-2H3
InChIKeyWLAARYANPKLQFJ-UHFFFAOYSA-N
XLogP1.57
TPSA51.38 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(6-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486266
(4-Methoxy-phenyl)-pyridin-3-ylmethyl-amine
CID 742765
(2-Methoxypyridin-4-yl)methanamine
CID 16227983
(4-Methoxy-benzyl)-(1-methyl-1H-pyrrol-2-ylmethyl)-amine
CID 17332688
(4-Ethoxy-benzyl)-pyridin-3-ylmethyl-amine
CID 834002
2-Methoxy-5-(1-methylpyrrolidin-2-yl)pyridine
CID 10535763
1-(6-Methoxypyridin-3-yl)-1,4-diazepane
CID 10727034
trans-(1S,2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
CID 135905415
(6-Methoxypyridin-3-yl)methanamine
CID 16227379
Pyridine, 2-methoxy-5-methyl-
CID 3014746
6-Methoxy-4-methylpyridin-3-amine
CID 243170
6'-Methoxy-2,3'-bipyridyl
CID 10899365

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine (CID 114937000) is N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine is CCN(C1CC1)C(CN)c1ccc(OC)nc1.
What is the InChIKey of N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is WLAARYANPKLQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16(11-5-6-11)12(8-14)10-4-7-13(17-2)15-9-10/h4,7,9,11-12H,3,5-6,8,14H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 114937000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).