1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine

C17H28N2O — CID 103557055

IUPAC1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(C)cn1)CC1(OC)CCC1
InChIInChI=1S/C17H28N2O/c1-4-10-18-16(12-17(20-3)8-5-9-17)11-15-7-6-14(2)13-19-15/h6-7,13,16,18H,4-5,8-12H2,1-3H3
InChIKeyWKIOUAIXSNIYKP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.26
Rot. Bonds8

About 1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine

1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine (PubChem CID 103557055) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
PubChem CID103557055
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(C)cn1)CC1(OC)CCC1
InChIInChI=1S/C17H28N2O/c1-4-10-18-16(12-17(20-3)8-5-9-17)11-15-7-6-14(2)13-19-15/h6-7,13,16,18H,4-5,8-12H2,1-3H3
InChIKeyWKIOUAIXSNIYKP-UHFFFAOYSA-N
XLogP3.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 103557054
1-(1-methoxycyclobutyl)-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557053
1-(1-methoxycyclobutyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 103559122
1-(1-methoxycyclobutyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 103559792
1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107064405
1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446739
1-(furan-2-yl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103559757
1-(3,4-difluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556973
1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556957
1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556904
1-(1-methoxycyclobutyl)-4-methyl-N-propylpent-4-en-2-amine
CID 103559545
N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 103559035

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine (CID 103557055) is 1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(C)cn1)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine?
The InChIKey is WKIOUAIXSNIYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-10-18-16(12-17(20-3)8-5-9-17)11-15-7-6-14(2)13-19-15/h6-7,13,16,18H,4-5,8-12H2,1-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine?
1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine is sourced from PubChem (CID 103557055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).