(1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine

C10H16N2 — CID 82280295

IUPAC(1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine
SMILESCn1ccc(C(N)C2(C)CC2)c1
InChIInChI=1S/C10H16N2/c1-10(4-5-10)9(11)8-3-6-12(2)7-8/h3,6-7,9H,4-5,11H2,1-2H3
InChIKeyKZMPMTHBEKTLMP-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.83
Rot. Bonds2

About (1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine

(1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine (PubChem CID 82280295) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine.

Molecular Properties

Compound Name(1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine
PubChem CID82280295
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine
SMILESCn1ccc(C(N)C2(C)CC2)c1
InChIInChI=1S/C10H16N2/c1-10(4-5-10)9(11)8-3-6-12(2)7-8/h3,6-7,9H,4-5,11H2,1-2H3
InChIKeyKZMPMTHBEKTLMP-UHFFFAOYSA-N
XLogP1.83
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine?
The IUPAC name of (1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine (CID 82280295) is (1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine.
What is the SMILES notation for (1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine?
The canonical SMILES for (1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine is Cn1ccc(C(N)C2(C)CC2)c1.
What is the InChIKey of (1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine?
The InChIKey is KZMPMTHBEKTLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(4-5-10)9(11)8-3-6-12(2)7-8/h3,6-7,9H,4-5,11H2,1-2H3.
What are the key properties of (1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine?
(1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine has a molecular weight of 164.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine is sourced from PubChem (CID 82280295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).