N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine

C12H22N2 — CID 66400804

IUPACN-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)Cn1cccc1CNC(C)C
InChIInChI=1S/C12H22N2/c1-10(2)9-14-7-5-6-12(14)8-13-11(3)4/h5-7,10-11,13H,8-9H2,1-4H3
InChIKeyCTNCPKACNLUAAR-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.64
Rot. Bonds5

About N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine

N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 66400804) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
PubChem CID66400804
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
SMILESCC(C)Cn1cccc1CNC(C)C
InChIInChI=1S/C12H22N2/c1-10(2)9-14-7-5-6-12(14)8-13-11(3)4/h5-7,10-11,13H,8-9H2,1-4H3
InChIKeyCTNCPKACNLUAAR-UHFFFAOYSA-N
XLogP2.64
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine (CID 66400804) is N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine is CC(C)Cn1cccc1CNC(C)C.
What is the InChIKey of N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is CTNCPKACNLUAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)9-14-7-5-6-12(14)8-13-11(3)4/h5-7,10-11,13H,8-9H2,1-4H3.
What are the key properties of N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine?
N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66400804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).