N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine

C10H13N — CID 143094072

IUPACN-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
SMILESCCN(C)C1=CC=C=CC=C1
InChIInChI=1S/C10H13N/c1-3-11(2)10-8-6-4-5-7-9-10/h4,6-9H,3H2,1-2H3
InChIKeyKPZXDLWMGOADSH-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.10
Rot. Bonds2

About N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine

N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine (PubChem CID 143094072) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
PubChem CID143094072
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
SMILESCCN(C)C1=CC=C=CC=C1
InChIInChI=1S/C10H13N/c1-3-11(2)10-8-6-4-5-7-9-10/h4,6-9H,3H2,1-2H3
InChIKeyKPZXDLWMGOADSH-UHFFFAOYSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine?
The IUPAC name of N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine (CID 143094072) is N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine.
What is the SMILES notation for N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine?
The canonical SMILES for N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine is CCN(C)C1=CC=C=CC=C1.
What is the InChIKey of N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine?
The InChIKey is KPZXDLWMGOADSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-11(2)10-8-6-4-5-7-9-10/h4,6-9H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine?
N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine has a molecular weight of 147.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine is sourced from PubChem (CID 143094072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).