N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine

C14H23N3O — CID 112741471

IUPACN-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine
SMILESCC(CN(C)C)Oc1cc(CNC2CC2)ccn1
InChIInChI=1S/C14H23N3O/c1-11(10-17(2)3)18-14-8-12(6-7-15-14)9-16-13-4-5-13/h6-8,11,13,16H,4-5,9-10H2,1-3H3
InChIKeyTZKKLLRWKYALBN-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.66
Rot. Bonds7

About N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine

N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 112741471) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine
PubChem CID112741471
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine
SMILESCC(CN(C)C)Oc1cc(CNC2CC2)ccn1
InChIInChI=1S/C14H23N3O/c1-11(10-17(2)3)18-14-8-12(6-7-15-14)9-16-13-4-5-13/h6-8,11,13,16H,4-5,9-10H2,1-3H3
InChIKeyTZKKLLRWKYALBN-UHFFFAOYSA-N
XLogP1.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine (CID 112741471) is N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine is CC(CN(C)C)Oc1cc(CNC2CC2)ccn1.
What is the InChIKey of N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is TZKKLLRWKYALBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(10-17(2)3)18-14-8-12(6-7-15-14)9-16-13-4-5-13/h6-8,11,13,16H,4-5,9-10H2,1-3H3.
What are the key properties of N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(dimethylamino)propan-2-yloxy]-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 112741471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).