N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine

C13H20N2O — CID 79628763

IUPACN-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
SMILESCC(C)(CNC1CC1)COc1cccnc1
InChIInChI=1S/C13H20N2O/c1-13(2,9-15-11-5-6-11)10-16-12-4-3-7-14-8-12/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyZQRYDSHLMDQZIK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.24
Rot. Bonds6

About N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine

N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine (PubChem CID 79628763) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
PubChem CID79628763
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine
SMILESCC(C)(CNC1CC1)COc1cccnc1
InChIInChI=1S/C13H20N2O/c1-13(2,9-15-11-5-6-11)10-16-12-4-3-7-14-8-12/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyZQRYDSHLMDQZIK-UHFFFAOYSA-N
XLogP2.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
N-[3-(4-ethoxyphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627900
N-[2,2-dimethyl-3-(4-phenylmethoxyphenoxy)propyl]cyclopropanamine
CID 113249331
N-[3-(2-bromophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79627719
N-[3-[4-(2-methoxyethyl)phenoxy]-2,2-dimethylpropyl]cyclopropanamine
CID 79627246
N-[2,2-dimethyl-3-(2-propoxyphenoxy)propyl]cyclopropanamine
CID 79628062
4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine
CID 115149949
N-[3-(4-bromo-3-fluorophenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626291
1-(3-chlorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335627
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate
CID 69321662
N-(2,2-dimethyl-3-phenylpropyl)cyclopropanamine
CID 62724545

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine?
The IUPAC name of N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine (CID 79628763) is N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine.
What is the SMILES notation for N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine?
The canonical SMILES for N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine is CC(C)(CNC1CC1)COc1cccnc1.
What is the InChIKey of N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine?
The InChIKey is ZQRYDSHLMDQZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,9-15-11-5-6-11)10-16-12-4-3-7-14-8-12/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3.
What are the key properties of N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine?
N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine has a molecular weight of 220.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-pyridin-3-yloxypropyl)cyclopropanamine is sourced from PubChem (CID 79628763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).