N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C18H30N2O — CID 105026939

IUPACN-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCCOc1cncc(C(NCC)C2C(C)(C)C2(C)C)c1
InChIInChI=1S/C18H30N2O/c1-7-9-21-14-10-13(11-19-12-14)15(20-8-2)16-17(3,4)18(16,5)6/h10-12,15-16,20H,7-9H2,1-6H3
InChIKeyDFHSSWKKOQAFEB-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.20
Rot. Bonds7

About N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 105026939) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID105026939
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCCOc1cncc(C(NCC)C2C(C)(C)C2(C)C)c1
InChIInChI=1S/C18H30N2O/c1-7-9-21-14-10-13(11-19-12-14)15(20-8-2)16-17(3,4)18(16,5)6/h10-12,15-16,20H,7-9H2,1-6H3
InChIKeyDFHSSWKKOQAFEB-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine with MolForge

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Related Compounds

N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 103028938
N-ethyl-2-(1-methoxycyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanamine
CID 103559738
N-methyl-1-(1-methylcyclopentyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026977
N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine
CID 104790228
N-methyl-1-(5-methyloxolan-2-yl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026718
N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine
CID 105026682
N-[(6-methyl-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115854998
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
CID 105026955
4-ethoxy-1-(5-propoxy-3-pyridinyl)butan-1-ol
CID 105121586
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931

Frequently Asked Questions

What is the IUPAC name of N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 105026939) is N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCCOc1cncc(C(NCC)C2C(C)(C)C2(C)C)c1.
What is the InChIKey of N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is DFHSSWKKOQAFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-7-9-21-14-10-13(11-19-12-14)15(20-8-2)16-17(3,4)18(16,5)6/h10-12,15-16,20H,7-9H2,1-6H3.
What are the key properties of N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 105026939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).