N-(3H-pyrrol-4-ylmethyl)ethanamine

C7H12N2 — CID 118908241

IUPACN-(3H-pyrrol-4-ylmethyl)ethanamine
SMILESCCNCC1=CN=CC1
InChIInChI=1S/C7H12N2/c1-2-8-5-7-3-4-9-6-7/h4,6,8H,2-3,5H2,1H3
InChIKeyCVHZTRDSWAPMGQ-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds3

About N-(3H-pyrrol-4-ylmethyl)ethanamine

N-(3H-pyrrol-4-ylmethyl)ethanamine (PubChem CID 118908241) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-(3H-pyrrol-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(3H-pyrrol-4-ylmethyl)ethanamine
PubChem CID118908241
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-(3H-pyrrol-4-ylmethyl)ethanamine
SMILESCCNCC1=CN=CC1
InChIInChI=1S/C7H12N2/c1-2-8-5-7-3-4-9-6-7/h4,6,8H,2-3,5H2,1H3
InChIKeyCVHZTRDSWAPMGQ-UHFFFAOYSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3H-pyrrol-4-ylmethyl)ethanamine?
The IUPAC name of N-(3H-pyrrol-4-ylmethyl)ethanamine (CID 118908241) is N-(3H-pyrrol-4-ylmethyl)ethanamine.
What is the SMILES notation for N-(3H-pyrrol-4-ylmethyl)ethanamine?
The canonical SMILES for N-(3H-pyrrol-4-ylmethyl)ethanamine is CCNCC1=CN=CC1.
What is the InChIKey of N-(3H-pyrrol-4-ylmethyl)ethanamine?
The InChIKey is CVHZTRDSWAPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-8-5-7-3-4-9-6-7/h4,6,8H,2-3,5H2,1H3.
What are the key properties of N-(3H-pyrrol-4-ylmethyl)ethanamine?
N-(3H-pyrrol-4-ylmethyl)ethanamine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-pyrrol-4-ylmethyl)ethanamine is sourced from PubChem (CID 118908241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).