N-(3-methoxycyclobutyl)pyrrol-1-amine

C9H14N2O — CID 106821520

IUPACN-(3-methoxycyclobutyl)pyrrol-1-amine
SMILESCOC1CC(Nn2cccc2)C1
InChIInChI=1S/C9H14N2O/c1-12-9-6-8(7-9)10-11-4-2-3-5-11/h2-5,8-10H,6-7H2,1H3
InChIKeySNDFLZYEWXJJQB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.21
Rot. Bonds3

About N-(3-methoxycyclobutyl)pyrrol-1-amine

N-(3-methoxycyclobutyl)pyrrol-1-amine (PubChem CID 106821520) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)pyrrol-1-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)pyrrol-1-amine
PubChem CID106821520
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(3-methoxycyclobutyl)pyrrol-1-amine
SMILESCOC1CC(Nn2cccc2)C1
InChIInChI=1S/C9H14N2O/c1-12-9-6-8(7-9)10-11-4-2-3-5-11/h2-5,8-10H,6-7H2,1H3
InChIKeySNDFLZYEWXJJQB-UHFFFAOYSA-N
XLogP1.21
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)pyrrol-1-amine?
The IUPAC name of N-(3-methoxycyclobutyl)pyrrol-1-amine (CID 106821520) is N-(3-methoxycyclobutyl)pyrrol-1-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)pyrrol-1-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)pyrrol-1-amine is COC1CC(Nn2cccc2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)pyrrol-1-amine?
The InChIKey is SNDFLZYEWXJJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-12-9-6-8(7-9)10-11-4-2-3-5-11/h2-5,8-10H,6-7H2,1H3.
What are the key properties of N-(3-methoxycyclobutyl)pyrrol-1-amine?
N-(3-methoxycyclobutyl)pyrrol-1-amine has a molecular weight of 166.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)pyrrol-1-amine is sourced from PubChem (CID 106821520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).