N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine

C18H31N3 — CID 115807952

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)c1cnn(CCC)c1
InChIInChI=1S/C18H31N3/c1-3-7-19-18(17-12-20-21(13-17)8-4-2)11-16-10-14-5-6-15(16)9-14/h12-16,18-19H,3-11H2,1-2H3
InChIKeyXJILFZQOKQSWDT-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.16
Rot. Bonds8

About N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 115807952) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID115807952
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)c1cnn(CCC)c1
InChIInChI=1S/C18H31N3/c1-3-7-19-18(17-12-20-21(13-17)8-4-2)11-16-10-14-5-6-15(16)9-14/h12-16,18-19H,3-11H2,1-2H3
InChIKeyXJILFZQOKQSWDT-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115816163
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 115808203
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 79562074
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43496619
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105012704
3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63889821
N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 79088395
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-3-chlorophenyl)ethyl]propan-1-amine
CID 105012937
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 55197409
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 79562678

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine (CID 115807952) is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(CC1CC2CCC1C2)c1cnn(CCC)c1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is XJILFZQOKQSWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-7-19-18(17-12-20-21(13-17)8-4-2)11-16-10-14-5-6-15(16)9-14/h12-16,18-19H,3-11H2,1-2H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115807952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).