N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine

C12H20N2 — CID 147040996

IUPACN-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1=NCC(C2CC2)=C1
InChIInChI=1S/C12H20N2/c1-12(2,3)14-8-11-6-10(7-13-11)9-4-5-9/h6,9,14H,4-5,7-8H2,1-3H3
InChIKeyAZLGGBUBPVASSZ-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.17
Rot. Bonds3

About N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine

N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 147040996) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID147040996
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1=NCC(C2CC2)=C1
InChIInChI=1S/C12H20N2/c1-12(2,3)14-8-11-6-10(7-13-11)9-4-5-9/h6,9,14H,4-5,7-8H2,1-3H3
InChIKeyAZLGGBUBPVASSZ-UHFFFAOYSA-N
XLogP2.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine (CID 147040996) is N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1=NCC(C2CC2)=C1.
What is the InChIKey of N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is AZLGGBUBPVASSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,3)14-8-11-6-10(7-13-11)9-4-5-9/h6,9,14H,4-5,7-8H2,1-3H3.
What are the key properties of N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine?
N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-2H-pyrrol-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 147040996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).