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

C11H18N2 — CID 46784881

IUPACN-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cccn1C1CC1
InChIInChI=1S/C11H18N2/c1-9(2)12-8-11-4-3-7-13(11)10-5-6-10/h3-4,7,9-10,12H,5-6,8H2,1-2H3
InChIKeyNAZFMUOMGWLTKO-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.32
Rot. Bonds4

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

N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine (PubChem CID 46784881) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine
PubChem CID46784881
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cccn1C1CC1
InChIInChI=1S/C11H18N2/c1-9(2)12-8-11-4-3-7-13(11)10-5-6-10/h3-4,7,9-10,12H,5-6,8H2,1-2H3
InChIKeyNAZFMUOMGWLTKO-UHFFFAOYSA-N
XLogP2.32
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine (CID 46784881) is N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine is CC(C)NCc1cccn1C1CC1.
What is the InChIKey of N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine?
The InChIKey is NAZFMUOMGWLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)12-8-11-4-3-7-13(11)10-5-6-10/h3-4,7,9-10,12H,5-6,8H2,1-2H3.
What are the key properties of N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine?
N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine has a molecular weight of 178.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 46784881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).