1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine

C16H26N2 — CID 79549886

IUPAC1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1CC1CC2CCC1C2
InChIInChI=1S/C16H26N2/c1-2-15(17)10-16-4-3-7-18(16)11-14-9-12-5-6-13(14)8-12/h3-4,7,12-15H,2,5-6,8-11,17H2,1H3
InChIKeyQBFHTFRRGOIWKE-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds5

About 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine

1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine (PubChem CID 79549886) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine
PubChem CID79549886
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1CC1CC2CCC1C2
InChIInChI=1S/C16H26N2/c1-2-15(17)10-16-4-3-7-18(16)11-14-9-12-5-6-13(14)8-12/h3-4,7,12-15H,2,5-6,8-11,17H2,1H3
InChIKeyQBFHTFRRGOIWKE-UHFFFAOYSA-N
XLogP3.20
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine
CID 79557924
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine
CID 79558298
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one
CID 116618396
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66406289
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66406093
1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine
CID 79562862
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine
CID 107701303
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 104999302
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405681
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole
CID 83165975
1-[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]butan-2-amine
CID 66405473
1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine
CID 112651314

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine (CID 79549886) is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine is CCC(N)Cc1cccn1CC1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine?
The InChIKey is QBFHTFRRGOIWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-15(17)10-16-4-3-7-18(16)11-14-9-12-5-6-13(14)8-12/h3-4,7,12-15H,2,5-6,8-11,17H2,1H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine?
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine is sourced from PubChem (CID 79549886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).