N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine

C17H29N3O — CID 64771398

IUPACN-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)C)n1)C1CC2CCC1O2
InChIInChI=1S/C17H29N3O/c1-4-8-18-16(15-11-14-5-6-17(15)21-14)10-13-7-9-20(19-13)12(2)3/h7,9,12,14-18H,4-6,8,10-11H2,1-3H3
InChIKeyUJANLYKVULDILS-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.94
Rot. Bonds7

About N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine

N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 64771398) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID64771398
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccn(C(C)C)n1)C1CC2CCC1O2
InChIInChI=1S/C17H29N3O/c1-4-8-18-16(15-11-14-5-6-17(15)21-14)10-13-7-9-20(19-13)12(2)3/h7,9,12,14-18H,4-6,8,10-11H2,1-3H3
InChIKeyUJANLYKVULDILS-UHFFFAOYSA-N
XLogP2.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

[1-(1-Cyclohexylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025341
[3-(2-Methylpyrazol-3-yl)-1-(oxolan-3-yl)propyl]hydrazine
CID 103026192
[1-(2-Methyloxolan-3-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026202
[3-(2-Methylpyrazol-3-yl)-1-(oxan-3-yl)propyl]hydrazine
CID 103026246
[4-(2-Methylpyrazol-3-yl)-1-(oxolan-3-yl)butan-2-yl]hydrazine
CID 103027042
[1-Cyclohexyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103027149
1-(1-butan-2-ylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103027316
1-(1-Butan-2-ylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-amine
CID 103027317
N-ethyl-4-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 103027331
N-ethyl-4-methoxy-4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 103027345
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 103028808
4-Methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 103028809

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine (CID 64771398) is N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccn(C(C)C)n1)C1CC2CCC1O2.
What is the InChIKey of N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is UJANLYKVULDILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-8-18-16(15-11-14-5-6-17(15)21-14)10-13-7-9-20(19-13)12(2)3/h7,9,12,14-18H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine?
N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 64771398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).