N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine

C17H28N2O2 — CID 116714896

IUPACN-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC(C)C)c1)C1(OC)CCC1
InChIInChI=1S/C17H28N2O2/c1-5-9-19-16(17(20-4)7-6-8-17)14-10-15(12-18-11-14)21-13(2)3/h10-13,16,19H,5-9H2,1-4H3
InChIKeyHOEZKYHJJGWJNO-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.48
Rot. Bonds8

About N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine

N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 116714896) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID116714896
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC(C)C)c1)C1(OC)CCC1
InChIInChI=1S/C17H28N2O2/c1-5-9-19-16(17(20-4)7-6-8-17)14-10-15(12-18-11-14)21-13(2)3/h10-13,16,19H,5-9H2,1-4H3
InChIKeyHOEZKYHJJGWJNO-UHFFFAOYSA-N
XLogP3.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 116714615
N-[(1-ethylcyclopentyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026181
N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 116714647
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770057
N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714856
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105027443
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
[(1-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]hydrazine
CID 105330488

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (CID 116714896) is N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(OC(C)C)c1)C1(OC)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is HOEZKYHJJGWJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-9-19-16(17(20-4)7-6-8-17)14-10-15(12-18-11-14)21-13(2)3/h10-13,16,19H,5-9H2,1-4H3.
What are the key properties of N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 116714896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).