N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine

C17H29N3O — CID 102740645

IUPACN-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
SMILESCCc1cc(CNC(C)C)cc(OCCN(C)C2CC2)n1
InChIInChI=1S/C17H29N3O/c1-5-15-10-14(12-18-13(2)3)11-17(19-15)21-9-8-20(4)16-6-7-16/h10-11,13,16,18H,5-9,12H2,1-4H3
InChIKeyXUIRESCJSUMSHG-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.62
Rot. Bonds9

About N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine

N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine (PubChem CID 102740645) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
PubChem CID102740645
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
SMILESCCc1cc(CNC(C)C)cc(OCCN(C)C2CC2)n1
InChIInChI=1S/C17H29N3O/c1-5-15-10-14(12-18-13(2)3)11-17(19-15)21-9-8-20(4)16-6-7-16/h10-11,13,16,18H,5-9,12H2,1-4H3
InChIKeyXUIRESCJSUMSHG-UHFFFAOYSA-N
XLogP2.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[6-ethyl-4-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740562
N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740671
N-[[2-ethyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methyl]propan-2-amine
CID 106667444
N-methyl-N-[2-[3-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopentanamine
CID 62418135
N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine
CID 102740542
6-ethyl-N-methyl-N-propan-2-yl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 113381295
N-[[6-[2-[cyclopropyl(methyl)amino]ethoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 102740583
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyrimidine-2,4-diamine
CID 102741225
N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]ethanamine
CID 114157939
N-[[2-(2-cyclopropylethoxy)-6-ethyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106205411
N-[2-[6-(aminomethyl)pyrazin-2-yl]oxyethyl]-N-methylcyclopropanamine
CID 102740601
[2-[2-[cyclopropyl(methyl)amino]ethoxy]-4-pyridinyl]methanol
CID 102740402

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine (CID 102740645) is N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine is CCc1cc(CNC(C)C)cc(OCCN(C)C2CC2)n1.
What is the InChIKey of N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is XUIRESCJSUMSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-15-10-14(12-18-13(2)3)11-17(19-15)21-9-8-20(4)16-6-7-16/h10-11,13,16,18H,5-9,12H2,1-4H3.
What are the key properties of N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine?
N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-ethyl-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102740645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).