N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine

C9H13N — CID 54210866

IUPACN-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine
SMILESCCN(C)C=C1C=CC=C1
InChIInChI=1S/C9H13N/c1-3-10(2)8-9-6-4-5-7-9/h4-8H,3H2,1-2H3
InChIKeyPVVYSESCZJOKTN-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.95
Rot. Bonds2

About N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine

N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine (PubChem CID 54210866) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine
PubChem CID54210866
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine
SMILESCCN(C)C=C1C=CC=C1
InChIInChI=1S/C9H13N/c1-3-10(2)8-9-6-4-5-7-9/h4-8H,3H2,1-2H3
InChIKeyPVVYSESCZJOKTN-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine?
The IUPAC name of N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine (CID 54210866) is N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine.
What is the SMILES notation for N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine?
The canonical SMILES for N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine is CCN(C)C=C1C=CC=C1.
What is the InChIKey of N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine?
The InChIKey is PVVYSESCZJOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-10(2)8-9-6-4-5-7-9/h4-8H,3H2,1-2H3.
What are the key properties of N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine?
N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine has a molecular weight of 135.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenta-2,4-dien-1-ylidenemethyl)-N-methylethanamine is sourced from PubChem (CID 54210866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).