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

C17H28N2O2 — CID 105027443

IUPACN-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC(C)C)c1)C1CCC(C)O1
InChIInChI=1S/C17H28N2O2/c1-5-8-19-17(16-7-6-13(4)21-16)14-9-15(11-18-10-14)20-12(2)3/h9-13,16-17,19H,5-8H2,1-4H3
InChIKeyRDNSCSXXECSVAW-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.48
Rot. Bonds7

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

N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105027443) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID105027443
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OC(C)C)c1)C1CCC(C)O1
InChIInChI=1S/C17H28N2O2/c1-5-8-19-17(16-7-6-13(4)21-16)14-9-15(11-18-10-14)20-12(2)3/h9-13,16-17,19H,5-8H2,1-4H3
InChIKeyRDNSCSXXECSVAW-UHFFFAOYSA-N
XLogP3.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

N-methyl-1-(5-methyloxolan-2-yl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026718
1-(5-ethoxy-3-pyridinyl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105026304
N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105019030
N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115796924
N-[(4-methoxy-3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 83045842
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 116714896
N-[(5-methyloxolan-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988409
N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115791948
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620
N-[(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190527
N-[2-methylsulfonyl-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]propan-1-amine
CID 105027295
[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326497

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine (CID 105027443) is N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(OC(C)C)c1)C1CCC(C)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is RDNSCSXXECSVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-8-19-17(16-7-6-13(4)21-16)14-9-15(11-18-10-14)20-12(2)3/h9-13,16-17,19H,5-8H2,1-4H3.
What are the key properties of N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine?
N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105027443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).