N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine

C15H25N3O — CID 102740542

IUPACN-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine
SMILESCC(C)NCc1cccnc1OCCN(C)C1CC1
InChIInChI=1S/C15H25N3O/c1-12(2)17-11-13-5-4-8-16-15(13)19-10-9-18(3)14-6-7-14/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3
InChIKeyIKQXGYNXVUEPMS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.05
Rot. Bonds8

About N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine

N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine (PubChem CID 102740542) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine
PubChem CID102740542
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine
SMILESCC(C)NCc1cccnc1OCCN(C)C1CC1
InChIInChI=1S/C15H25N3O/c1-12(2)17-11-13-5-4-8-16-15(13)19-10-9-18(3)14-6-7-14/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3
InChIKeyIKQXGYNXVUEPMS-UHFFFAOYSA-N
XLogP2.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine (CID 102740542) is N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine is CC(C)NCc1cccnc1OCCN(C)C1CC1.
What is the InChIKey of N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine?
The InChIKey is IKQXGYNXVUEPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)17-11-13-5-4-8-16-15(13)19-10-9-18(3)14-6-7-14/h4-5,8,12,14,17H,6-7,9-11H2,1-3H3.
What are the key properties of N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine?
N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine is sourced from PubChem (CID 102740542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).