2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine

C13H24N2 — CID 102610013

IUPAC2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
SMILESCC(C)C(C)(C)CNCc1ccn(C)c1
InChIInChI=1S/C13H24N2/c1-11(2)13(3,4)10-14-8-12-6-7-15(5)9-12/h6-7,9,11,14H,8,10H2,1-5H3
InChIKeyJGTGVBAICMMJKX-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.80
Rot. Bonds5

About 2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine

2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine (PubChem CID 102610013) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
PubChem CID102610013
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
SMILESCC(C)C(C)(C)CNCc1ccn(C)c1
InChIInChI=1S/C13H24N2/c1-11(2)13(3,4)10-14-8-12-6-7-15(5)9-12/h6-7,9,11,14H,8,10H2,1-5H3
InChIKeyJGTGVBAICMMJKX-UHFFFAOYSA-N
XLogP2.80
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine (CID 102610013) is 2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine is CC(C)C(C)(C)CNCc1ccn(C)c1.
What is the InChIKey of 2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine?
The InChIKey is JGTGVBAICMMJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-11(2)13(3,4)10-14-8-12-6-7-15(5)9-12/h6-7,9,11,14H,8,10H2,1-5H3.
What are the key properties of 2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine?
2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 102610013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).