N-methylcyclopenta-1,3-dien-1-amine

C6H9N — CID 14325423

IUPACN-methylcyclopenta-1,3-dien-1-amine
SMILESCNC1=CC=CC1
InChIInChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h2-4,7H,5H2,1H3
InChIKeyWXVRIWAWKKGYAR-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.05
Rot. Bonds1

About N-methylcyclopenta-1,3-dien-1-amine

N-methylcyclopenta-1,3-dien-1-amine (PubChem CID 14325423) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is N-methylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-methylcyclopenta-1,3-dien-1-amine
PubChem CID14325423
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC NameN-methylcyclopenta-1,3-dien-1-amine
SMILESCNC1=CC=CC1
InChIInChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h2-4,7H,5H2,1H3
InChIKeyWXVRIWAWKKGYAR-UHFFFAOYSA-N
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methylcyclopenta-1,3-dien-1-amine?
The IUPAC name of N-methylcyclopenta-1,3-dien-1-amine (CID 14325423) is N-methylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N-methylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for N-methylcyclopenta-1,3-dien-1-amine is CNC1=CC=CC1.
What is the InChIKey of N-methylcyclopenta-1,3-dien-1-amine?
The InChIKey is WXVRIWAWKKGYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h2-4,7H,5H2,1H3.
What are the key properties of N-methylcyclopenta-1,3-dien-1-amine?
N-methylcyclopenta-1,3-dien-1-amine has a molecular weight of 95.14 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 14325423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).