N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine

C14H20N2O — CID 114157961

IUPACN-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(OCCC2CC2)cc(CNC2CC2)n1
InChIInChI=1S/C14H20N2O/c1-2-11(1)6-8-17-14-5-7-15-13(9-14)10-16-12-3-4-12/h5,7,9,11-12,16H,1-4,6,8,10H2
InChIKeyXNGFBZCBSGFLSN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.51
Rot. Bonds7

About N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 114157961) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID114157961
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1cc(OCCC2CC2)cc(CNC2CC2)n1
InChIInChI=1S/C14H20N2O/c1-2-11(1)6-8-17-14-5-7-15-13(9-14)10-16-12-3-4-12/h5,7,9,11-12,16H,1-4,6,8,10H2
InChIKeyXNGFBZCBSGFLSN-UHFFFAOYSA-N
XLogP2.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 82791835
2-(chloromethyl)-4-(2-cyclopropylethoxy)pyridine;hydrochloride
CID 162326709
N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine
CID 102723120
N-[[4-(4-ethoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297962
N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295902
N-[[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62288585
N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 107726012
N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295755
4-(2-cyclopropylethoxy)pyridine
CID 174949801
N-[[4-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62322053
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 106205858
N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62290018

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 114157961) is N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine is c1cc(OCCC2CC2)cc(CNC2CC2)n1.
What is the InChIKey of N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XNGFBZCBSGFLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-11(1)6-8-17-14-5-7-15-13(9-14)10-16-12-3-4-12/h5,7,9,11-12,16H,1-4,6,8,10H2.
What are the key properties of N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 232.33 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114157961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).