N-(4-methylpentyl)pyrrol-1-amine

C10H18N2 — CID 83155655

IUPACN-(4-methylpentyl)pyrrol-1-amine
SMILESCC(C)CCCNn1cccc1
InChIInChI=1S/C10H18N2/c1-10(2)6-5-7-11-12-8-3-4-9-12/h3-4,8-11H,5-7H2,1-2H3
InChIKeyZFRZUQZXJURINA-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.47
Rot. Bonds5

About N-(4-methylpentyl)pyrrol-1-amine

N-(4-methylpentyl)pyrrol-1-amine (PubChem CID 83155655) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(4-methylpentyl)pyrrol-1-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)pyrrol-1-amine
PubChem CID83155655
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-(4-methylpentyl)pyrrol-1-amine
SMILESCC(C)CCCNn1cccc1
InChIInChI=1S/C10H18N2/c1-10(2)6-5-7-11-12-8-3-4-9-12/h3-4,8-11H,5-7H2,1-2H3
InChIKeyZFRZUQZXJURINA-UHFFFAOYSA-N
XLogP2.47
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.47
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-(4-methylpentyl)pyrrol-1-amine?
The IUPAC name of N-(4-methylpentyl)pyrrol-1-amine (CID 83155655) is N-(4-methylpentyl)pyrrol-1-amine.
What is the SMILES notation for N-(4-methylpentyl)pyrrol-1-amine?
The canonical SMILES for N-(4-methylpentyl)pyrrol-1-amine is CC(C)CCCNn1cccc1.
What is the InChIKey of N-(4-methylpentyl)pyrrol-1-amine?
The InChIKey is ZFRZUQZXJURINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2)6-5-7-11-12-8-3-4-9-12/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of N-(4-methylpentyl)pyrrol-1-amine?
N-(4-methylpentyl)pyrrol-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)pyrrol-1-amine is sourced from PubChem (CID 83155655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).