N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

C19H30N2 — CID 79612022

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCn1c(C)cc(CNC2CC3CC2C2CCCC32)c1C
InChIInChI=1S/C19H30N2/c1-4-21-12(2)8-15(13(21)3)11-20-19-10-14-9-18(19)17-7-5-6-16(14)17/h8,14,16-20H,4-7,9-11H2,1-3H3
InChIKeyZWERREYKPYHVBH-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.04
Rot. Bonds4

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 79612022) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID79612022
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESCCn1c(C)cc(CNC2CC3CC2C2CCCC32)c1C
InChIInChI=1S/C19H30N2/c1-4-21-12(2)8-15(13(21)3)11-20-19-10-14-9-18(19)17-7-5-6-16(14)17/h8,14,16-20H,4-7,9-11H2,1-3H3
InChIKeyZWERREYKPYHVBH-UHFFFAOYSA-N
XLogP4.04
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 79612022) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is CCn1c(C)cc(CNC2CC3CC2C2CCCC32)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is ZWERREYKPYHVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-4-21-12(2)8-15(13(21)3)11-20-19-10-14-9-18(19)17-7-5-6-16(14)17/h8,14,16-20H,4-7,9-11H2,1-3H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 286.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 79612022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).