1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C13H23N3O — CID 103011693

IUPAC1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2(C)CCCCO2)cn1
InChIInChI=1S/C13H23N3O/c1-13(7-3-4-8-17-13)12(14)6-5-11-9-15-16(2)10-11/h9-10,12H,3-8,14H2,1-2H3
InChIKeyDONLFNKOBMBLGT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.64
Rot. Bonds4

About 1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103011693) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103011693
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)C2(C)CCCCO2)cn1
InChIInChI=1S/C13H23N3O/c1-13(7-3-4-8-17-13)12(14)6-5-11-9-15-16(2)10-11/h9-10,12H,3-8,14H2,1-2H3
InChIKeyDONLFNKOBMBLGT-UHFFFAOYSA-N
XLogP1.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892
1-(2-methyloxolan-2-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103011487
[1-(2-methyloxolan-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105250841
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103012565
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027896
1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081869
1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103544205
3-(1-methylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)propan-1-ol
CID 103008326
4-(azepan-1-yl)-4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103011040
[1-(1-methoxycyclopentyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027057
1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008601
1-(2-methyloxolan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050311

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103011693) is 1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(CCC(N)C2(C)CCCCO2)cn1.
What is the InChIKey of 1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is DONLFNKOBMBLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(7-3-4-8-17-13)12(14)6-5-11-9-15-16(2)10-11/h9-10,12H,3-8,14H2,1-2H3.
What are the key properties of 1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103011693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).