N,N,3-trimethylcyclohexa-2,4-dien-1-amine

C9H15N — CID 118506281

IUPACN,N,3-trimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(N(C)C)CC=C1
InChIInChI=1S/C9H15N/c1-8-5-4-6-9(7-8)10(2)3/h4-5,7,9H,6H2,1-3H3
InChIKeyVZCIOTAZUQOCFF-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.82
Rot. Bonds1

About N,N,3-trimethylcyclohexa-2,4-dien-1-amine

N,N,3-trimethylcyclohexa-2,4-dien-1-amine (PubChem CID 118506281) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,N,3-trimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N,3-trimethylcyclohexa-2,4-dien-1-amine
PubChem CID118506281
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,N,3-trimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(N(C)C)CC=C1
InChIInChI=1S/C9H15N/c1-8-5-4-6-9(7-8)10(2)3/h4-5,7,9H,6H2,1-3H3
InChIKeyVZCIOTAZUQOCFF-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N,3-trimethylcyclohexa-2,4-dien-1-amine (CID 118506281) is N,N,3-trimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N,3-trimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N,3-trimethylcyclohexa-2,4-dien-1-amine is CC1=CC(N(C)C)CC=C1.
What is the InChIKey of N,N,3-trimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is VZCIOTAZUQOCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8-5-4-6-9(7-8)10(2)3/h4-5,7,9H,6H2,1-3H3.
What are the key properties of N,N,3-trimethylcyclohexa-2,4-dien-1-amine?
N,N,3-trimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 118506281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).