N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine

C10H15N — CID 139382136

IUPACN,N,5-trimethylcyclohepta-1,3,6-trien-1-amine
SMILESCC1C=CC=C(N(C)C)C=C1
InChIInChI=1S/C10H15N/c1-9-5-4-6-10(8-7-9)11(2)3/h4-9H,1-3H3
InChIKeyWCLQJXDTEOOCTO-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.19
Rot. Bonds1

About N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine

N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine (PubChem CID 139382136) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound NameN,N,5-trimethylcyclohepta-1,3,6-trien-1-amine
PubChem CID139382136
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN,N,5-trimethylcyclohepta-1,3,6-trien-1-amine
SMILESCC1C=CC=C(N(C)C)C=C1
InChIInChI=1S/C10H15N/c1-9-5-4-6-10(8-7-9)11(2)3/h4-9H,1-3H3
InChIKeyWCLQJXDTEOOCTO-UHFFFAOYSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine (CID 139382136) is N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine is CC1C=CC=C(N(C)C)C=C1.
What is the InChIKey of N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is WCLQJXDTEOOCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-9-5-4-6-10(8-7-9)11(2)3/h4-9H,1-3H3.
What are the key properties of N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine?
N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 139382136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).