2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine

C11H18N2 — CID 115686124

IUPAC2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
SMILESCC(CNCc1cc[nH]c1)C1CC1
InChIInChI=1S/C11H18N2/c1-9(11-2-3-11)6-13-8-10-4-5-12-7-10/h4-5,7,9,11-13H,2-3,6,8H2,1H3
InChIKeyXRYPAUQIXYEOLV-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.15
Rot. Bonds5

About 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine

2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine (PubChem CID 115686124) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
PubChem CID115686124
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
SMILESCC(CNCc1cc[nH]c1)C1CC1
InChIInChI=1S/C11H18N2/c1-9(11-2-3-11)6-13-8-10-4-5-12-7-10/h4-5,7,9,11-13H,2-3,6,8H2,1H3
InChIKeyXRYPAUQIXYEOLV-UHFFFAOYSA-N
XLogP2.15
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine (CID 115686124) is 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine is CC(CNCc1cc[nH]c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The InChIKey is XRYPAUQIXYEOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(11-2-3-11)6-13-8-10-4-5-12-7-10/h4-5,7,9,11-13H,2-3,6,8H2,1H3.
What are the key properties of 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 115686124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).