2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine

C9H16N2 — CID 58523919

IUPAC2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1=CN=CC1
InChIInChI=1S/C9H16N2/c1-9(2,3)11-7-8-4-5-10-6-8/h5-6,11H,4,7H2,1-3H3
InChIKeyDWEIRSKNHHJJOR-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds2

About 2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine

2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine (PubChem CID 58523919) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine
PubChem CID58523919
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCC1=CN=CC1
InChIInChI=1S/C9H16N2/c1-9(2,3)11-7-8-4-5-10-6-8/h5-6,11H,4,7H2,1-3H3
InChIKeyDWEIRSKNHHJJOR-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine (CID 58523919) is 2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine is CC(C)(C)NCC1=CN=CC1.
What is the InChIKey of 2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine?
The InChIKey is DWEIRSKNHHJJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,3)11-7-8-4-5-10-6-8/h5-6,11H,4,7H2,1-3H3.
What are the key properties of 2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine?
2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3H-pyrrol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 58523919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).