N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine

C11H18N2 — CID 96656264

IUPACN-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine
SMILESCn1ccc(CCCNC2CC2)c1
InChIInChI=1S/C11H18N2/c1-13-8-6-10(9-13)3-2-7-12-11-4-5-11/h6,8-9,11-12H,2-5,7H2,1H3
InChIKeyLKYHZQJTCRWHAO-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.71
Rot. Bonds5

About N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine

N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine (PubChem CID 96656264) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine
PubChem CID96656264
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine
SMILESCn1ccc(CCCNC2CC2)c1
InChIInChI=1S/C11H18N2/c1-13-8-6-10(9-13)3-2-7-12-11-4-5-11/h6,8-9,11-12H,2-5,7H2,1H3
InChIKeyLKYHZQJTCRWHAO-UHFFFAOYSA-N
XLogP1.71
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine (CID 96656264) is N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine is Cn1ccc(CCCNC2CC2)c1.
What is the InChIKey of N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine?
The InChIKey is LKYHZQJTCRWHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13-8-6-10(9-13)3-2-7-12-11-4-5-11/h6,8-9,11-12H,2-5,7H2,1H3.
What are the key properties of N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine?
N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine has a molecular weight of 178.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine is sourced from PubChem (CID 96656264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).